9EJO

Crystal structure of WDR91 in complex with XS381295

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2024-05-01
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	78.632, 132.382, 119.604
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.700 - 2.400
R-factor	0.20042
Rwork	0.199
R-free	0.23793
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.295
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.086	0.030	0.966
Rmeas	0.095	0.033	1.059
Rpim	0.039	0.014	0.430
Total number of observations	146990
Number of reflections	24659	1311	1207
<I/σ(I)>	9.7
Completeness [%]	99.9	98	100
Redundancy	6	5.4	6
CC(1/2)	0.999	0.999	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	10% w/v PEG 8000, 20% v/v ethylene glycol, 0.03M of each divalent cation, 0.1M MES/imidazole pH6.5