6QJF

Crystal Structure of the third PDZ domain of PSD-95 protein D332P mutant: space group C121, structure 1

Replaces:  5OI4

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	C 1 2 1
Unit cell lengths	151.900, 31.712, 71.651
Unit cell angles	90.00, 99.51, 90.00

Refinement procedure

Resolution	19.622 - 1.500
R-factor	0.1546
Rwork	0.152
R-free	0.19890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k82
Data scaling software	Aimless (0.5.2)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.622	19.620	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.051	0.022	0.626
Number of reflections	53084	341	2577
<I/σ(I)>	15.7
Completeness [%]	97.6	91.4	96
Redundancy	4.5	4.5	4.2
CC(1/2)	0.999	0.999	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	0.16 M ammonium dihydrogenphosphate, 50 mM Tris, 20 % glycerol