6QJL

Crystal Structure of the third PDZ domain of PSD-95 protein D332G mutant: space group P21

Replaces:  5OII

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 1 21 1
Unit cell lengths	41.313, 47.023, 43.253
Unit cell angles	90.00, 92.19, 90.00

Refinement procedure

Resolution	31.821 - 1.043
R-factor	0.1527
Rwork	0.151
R-free	0.17450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5OIH
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]	47.020	47.020	1.060
High resolution limit [Å]	1.040	5.710	1.040
Rmerge	0.049	0.039	0.475
Rmeas	0.058	0.046	0.564
Rpim	0.030	0.024	0.300
Number of reflections	153886	498	3890
<I/σ(I)>	12
Completeness [%]	99.3	96.3	99.6
Redundancy	3.5	3.4	3.3
CC(1/2)	0.998	0.997	0.865

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