6QJN

Crystal Structure of the third PDZ domain of PSD-95 protein D332G mutant: space group I4122

Replaces:  5OIJ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.96998
Spacegroup name	I 41 2 2
Unit cell lengths	89.871, 89.871, 84.814
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.853 - 1.800
R-factor	0.2074
Rwork	0.205
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k82
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.850	19.850	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.078	0.039	0.427
Rmeas	0.087	0.045	0.475
Rpim	0.039	0.020	0.205
Total number of observations	77217	640	4797
Number of reflections	16272	142	942
<I/σ(I)>	11.3	19.7	3.4
Completeness [%]	99.3	89.4	99.8
Redundancy	4.7	4.5	5.1
CC(1/2)	0.996	0.999	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	0.1 M sodium citrate, 20% 2-Propanol, 20% PEG 4000, 5% Glycerol