8C2D

14-3-3 in complex with Pyrin pS208

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.03320
Spacegroup name	C 2 2 21
Unit cell lengths	81.959, 111.538, 62.659
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.659 - 2.150
Rwork	0.159
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.532
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.660	2.150
High resolution limit [Å]	2.150	2.150
Number of reflections	15990	1162
<I/σ(I)>	27	15.6
Completeness [%]	99.8
Redundancy	4.3
CC(1/2)	0.999	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.19 M CaCl2, 5% glycerol, 26% PEG 400, 0.095 M HEPES, pH 7.5