ECS4

4th European

Crystallography

School

2 – 7 July 2017

Warsaw, Poland

High throughput structure analysis – from routine chemical problems to advanced applications

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ecs4@chem.uw.edu.pl

PATRONAGE

The meeting is organised under the patronage of Dr. Jarosław Gowin, the Minister of Science and Higher Education of Poland

IMPORTANT DATES

Registration opening:

10 January 2017

Early bird registration deadline:

1 April 2017

Bursary application deadline:

14 March 2017

Bursary announcement:

27 March 2017

Regular registration deadline:

1 June 2017

Registration fee refund deadline:

31 May 2017

* Here and elsewhere on the ECS4 site all deadlines refer to quoted date at 23:59, Warsaw local time (GMT+1).

** Please note there is no separate abstract submission deadline.

CANCELLATION POLICY

Conference fees will be fully refunded provided that the cancellation request is received no later than 30 April 2017. Cancellations occurring between 1 May to 31 May 2017 will be refunded 50%. No refunds will be given after 31 May 2017. Cancellation requests must be submitted in writing to the offical workshop e-mail: ecs4@chem.uw.edu.pl. Note the hotel cancellation policy is different.

FREEDOM POLICY STATEMENT

The organizers of the ECS4, shall observe the basic policy of non-discrimination and affirms the right and freedom of scientists to associate in international scientific activity without regard to such factors as ethnic origin, religion, citizenship, language, political stance, gender, sex or age, in accordance with the Statutes of the International Council for Science. At this meeting no barriers will exist which would prevent the participation of bona fide scientists.

School Programme

Llecture, Ttutorial, Ssponsor presentation (*)

Sunday, 2nd July

10:00 – 18:00

Registration

12:30 – 13:00

Opening remarksJanusz Lipkowski (Warsaw, PL)

13:00 – 14:30

“Crystals of frameworks and their chemistry” (L1) – Omar Yaghi (Berkely, US)

14:30 – 15:00

Coffee break

15:00 – 16:30

“Protein crystallography – state of the art” (L2) – Mariusz Jaskólski (Poznań, PL)

16:30 – 17:15

“Microseed matrix-screening (rMMS): introduction, theory, practice and a new technique for membrane protein crystallization in LCP” (S1) – Stefan A. Kolek & Patrick D. Shaw Stewart & Bastian Bräuning (Douglas Instruments, UK)

18:00 – 20:00

Get together party

Monday, 3rd July

08:30 – 10:15

“Introduction to diffraction on crystals” (L3) – Lukáš Palatinus (Prague, CZ)

10:15 – 10:45

Coffee break

10:45 – 12:30

“Crystal structure solution – from small molecules to large biological assemblies” (L4) – Rocco Caliandro (Bari, IT)

12:30 – 14:00

Lunch + Poster Session I

14:00 – 15:45

“Structure refinement (part I)” (L5) – Wojciech Wolf (Łódź, PL)

15:45 – 16:15

Coffee break

16:15 – 17:00

“Structure refinement (part II)” (L6) – Wojciech Wolf (Łódź, PL)

17:00 – 17:30

“Latest Bruker solutions for high throughput structure analysis” (S2) – Holger Ott (Bruker AXS, DE)

17:30 – 18:00

“Advances in crystallography: new tools for better structures (part I)” (S3) – Fraser White & Marcus Winter (Rigaku Oxford Diffraction, UK)

18:00 – 18:30

“What do detector technical specifications do to your data?” (S4) – Dubravka Sisak Jung (Dectris, CH)

Tuesday, 4th July

08:30 – 10:15

“Structure solution and refinement” (T1) – Lukáš Palatinus (Prague, CZ) & Rocco Caliandro (Bari, IT)

10:15 – 10:45

Coffee break

10:45 – 11:30

“Absolute structure” (L7) – Anthony L. Spek (Utrecht, NL)

11:45 – 12:30

“Advances in crystallography: new tools for better structures (part II)” (S5) – Fraser White (Rigaku Oxford Diffraction, UK)

12:30 – 14:00

Lunch + Poster Session II

14:00 – 14:45

“Twinning” (L8) – Maria Gdaniec (Poznań, PL)

14:45 – 15:45

“Twinning (part I)” (T2) – Maria Gdaniec & Mirosław Gilski (Poznań, PL)

15:45 – 16:15

Coffee break

16:15 – 17:00

“Twinning (part II)” (T3) – Maria Gdaniec & Mirosław Gilski (Poznań, PL)

17:15 – 18:45

“Validation of structure analysis results” (L9) – Anthony L. Spek (Utrecht, NL)

Wednesday, 5th July

08:30 – 09:30

“Charge density analysis and derived electrostatic properties” (L10) – Claude Lecomte (Nancy, FR)

09:30 - 10:15

“MoPro and MollyNX software” (L11) – Claude Lecomte (Nancy, FR)

10:15 – 10:45

Coffee break

10:45 – 11:30

“A century after the Braggs – on accuracy and precision of single crystal X-ray results” (L12) – Krzysztof Woźniak (Warsaw, PL)

11:30 – 12:30

“Experimental charge density evaluation” (T4) – Katarzyna N. Jarzembska & Radosław Kamiński (Warsaw, PL)

12:30 – 14:00

Lunch

14:00 – 15:45

“Properties from charge density distribution” (T5) – Katarzyna N. Jarzembska & Radosław Kamiński (Warsaw, PL)

15:45 – 16:15

Coffee break

16:15 – 17:45

“High pressure crystallography” (L13) – Andrzej Katrusiak (Poznań, PL)

17:45 – 19:00

“Practical tips and tricks on handling trickier samples with Bruker SC-XRD equipment (absolute structure, twins, and high pressure)” (S6) – Holger Ott (Bruker AXS, DE)

Thursday, 6th July

08:30 – 09:30

“High pressure crystallography” (T6) – Andrzej Katrusiak (Poznań, PL)

09:30 – 10:30

“Supramolecular chemistry and crystallography (part I)” (L14) – Jerry L. Atwood (Columbia, US)

10:30 – 11:00

Coffee break

11:00 – 12:00

“Supramolecular chemistry and crystallography (part II)” (L15) – Leonard J. Barbour (Stellenbosch, ZA)

12:00 – 12:30

“Supramolecular chemistry and crystallography (part III)” (L16) – Marijana Đaković (Zagreb, HR)

12:30 – 14:00

Lunch

14:00 – 15:45

“Photocrystallography: chemical reactions in the solid state, TR methods” (L17) – Lauren E. Hatcher & Paul R. Raithby (Bath, UK)

15:45 – 16:15

Coffee break

16:15 – 17:00

“Monitoring photo-induced structural changes in crystals under ambient and high-pressure conditions” (L18) – Julia Bąkowicz & Ilona Turowska-Tyrk (Wrocław, PL)

17:00 – 17:45

“XSEED set of utility programs” (L19) – Leonard J. Barbour (Stellenbosch, ZA)

19:30 – 22:30

Conference dinner

Friday, 7th July

08:30 – 10:15

“Crystallographic databases” (L20) – Marek Główka & Anna Bujacz (Łódź, PL)

10:15 – 10:45

Coffee break

10:45 – 12:30

“Crystallographic databases” (L21) – Marek Główka & Anna Bujacz (Łódź, PL)

12:30 – 13:30

“Crystal engineering” (L22) – Klaus Merz (Bochum, DE)

13:30 – 14:00

Closing remarks

14:00

Take away lunch and excursion (optional **)

* Presenting author is in colour.

** The excursion will only take place when the sufficient number of people (>20) will sign up. Otherwise participants will be reimbursed.

ORGANISED BY

SPONSORS

MINISTRY FUNDING STATEMENT

The 4th European Crystallography School (ECS4) is funded by the Ministry of Science and Higher Education within the promotion of science programme (contract No.: 632/P-DUN/2017).

Copyright © 2016 R. Kamiński (somewhat based on template from Z. Štefanić; with contributions from K. N. Jarzembska & S. E. Kutyła)