6GN0

Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-11
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	P 21 21 2
Unit cell lengths	165.200, 168.760, 82.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	118.050 - 3.240
R-factor	0.246
Rwork	0.243
R-free	0.29440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c23
RMSD bond length	0.010
RMSD bond angle	1.190
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	118.100	3.290
High resolution limit [Å]	3.240	3.240
Rmeas	0.505	2.396
Number of reflections	37506	1875
<I/σ(I)>	5	1.4
Completeness [%]	99.8	96.7
Redundancy	13.3	14
CC(1/2)	0.980	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	12% PEG 3350, 4% Tacsimate