8AH4

Crystal Structure of the third PDZ domain of PSD-95 protein in the space group P3112 at pH 4.0

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	2021-11-18
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 31 1 2
Unit cell lengths	61.698, 61.698, 228.702
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.410 - 1.480
R-factor	0.1966
Rwork	0.195
R-free	0.23080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qji
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.031	1.635
High resolution limit [Å]	1.478	1.478
Rmerge	0.071	0.692
Number of reflections	59113	2957
<I/σ(I)>	11.1
Completeness [%]	93.6
Redundancy	4.9
CC(1/2)	0.999	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	298	30% PEG4K, 0.2M AMSO4, 0.1M AcONa