6QJG

Crystal Structure of the third PDZ domain of PSD-95 protein D332P mutant: space group C121, structure 2

Replaces:  5OI6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-25
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.965
Spacegroup name	C 1 2 1
Unit cell lengths	139.594, 33.501, 96.424
Unit cell angles	90.00, 128.93, 90.00

Refinement procedure

Resolution	19.439 - 2.003
R-factor	0.2013
Rwork	0.199
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k82
Data reduction software	XDS
Data scaling software	Aimless (0.5.8)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.440	19.440	2.050
High resolution limit [Å]	2.000	8.960	2.000
Rmerge	0.053	0.022	0.438
Rmeas	0.066	0.027	0.542
Rpim	0.038	0.015	0.314
Total number of observations	62417
Number of reflections	23033	249	1742
<I/σ(I)>	13.4
Completeness [%]	96.7	82.4	99.2
Redundancy	2.7	2.8	2.8
CC(1/2)	0.997	0.999	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1 M MES, 30 % PEG 8000