6QJK

Crystal Structure of the third PDZ domain of PSD-95 protein D332G mutant: space group P43

Replaces:  5OIH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 43
Unit cell lengths	42.854, 42.854, 46.909
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.490 - 1.046
R-factor	0.138
Rwork	0.138
R-free	0.14520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k82
Data reduction software	XDS
Data scaling software	Aimless (0.3.6)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.490	19.490	1.060
High resolution limit [Å]	1.050	5.630	1.050
Rmerge	0.042	0.025	0.522
Rmeas	0.049	0.029	0.607
Rpim	0.025	0.014	0.306
Total number of observations	141760	996	6972
Number of reflections	38212	264	1888
<I/σ(I)>	13.2	35	2.2
Completeness [%]	95.4	96.2	92.3
Redundancy	3.7	3.8	3.7
CC(1/2)	0.999	0.999	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.17 M ammonium sulphate , 25.5% PEG 8000 , 15% Glycerol