9EJP

Crystal structure of WDR91 in complex with XS838489

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-08
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97741
Spacegroup name	C 2 2 21
Unit cell lengths	77.613, 132.547, 119.797
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.690 - 2.220
R-factor	0.2047
Rwork	0.203
R-free	0.24497
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.342
Data scaling software	HKL-3000
Phasing software	PHASES
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.260
High resolution limit [Å]	2.220	6.020	2.220
Rmerge	0.062	0.022	0.904
Rmeas	0.065	0.024	0.949
Rpim	0.019	0.007	0.286
Number of reflections	30949	1674	1534
<I/σ(I)>	9.7
Completeness [%]	100.0	100	100
Redundancy	10.8	11.1	10.8
CC(1/2)	1.000	0.999	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	10% w/v PEG 8000, 20% v/v ethylene glycol, 0.02M of each alcohol, 0.1M MOPS/HEPES-Na pH7.5