9UDJ

Crystal structure of PSD95 in complex with 4-dimethylaminophenol

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9789
Spacegroup name	P 1 21 1
Unit cell lengths	43.540, 90.442, 55.947
Unit cell angles	90.00, 102.59, 90.00

Refinement procedure

Resolution	30.970 - 2.440
R-factor	0.2319
Rwork	0.227
R-free	0.27440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ypo
RMSD bond angle	5.298
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.970	2.530
High resolution limit [Å]	2.440	2.440
Rmerge		0.130
Number of reflections	15448	15448
<I/σ(I)>	9.83
Completeness [%]	97.8
Redundancy	3.7
CC(1/2)	0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.1 M Sodium citrate tribasic dihydrate (pH 5.5), 18% w/v Polyethylene glycol 3,350.