8AH7

Crystal Structure of the third PDZ domain of PSD-95 protein in the space group P212121 at pH 4.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-09
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.7749
Spacegroup name	P 21 21 21
Unit cell lengths	32.562, 36.747, 73.222
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.530 - 1.250
R-factor	0.1625
Rwork	0.161
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qji
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.20)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.530	19.530	1.270
High resolution limit [Å]	1.250	6.850	1.250
Rmerge	0.045	0.041	0.883
Rmeas	0.050	0.047	1.005
Rpim	0.023	0.022	0.465
Total number of observations	99957	552	4999
Number of reflections	24458	152	1205
<I/σ(I)>	8.2	24.2	1
Completeness [%]	98.4	86.5	99.6
Redundancy	4.1	3.6	4.1
CC(1/2)	0.999	0.995	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	298	30% PEG 4000, 0.2M Ammonium Sulfate, 0.1M sodium acetate