9D5Z

Crystal structure of the human WDR5 in complex with LH168 compound

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.18049
Spacegroup name	P 1
Unit cell lengths	46.951, 61.185, 64.605
Unit cell angles	110.41, 91.22, 112.20

Refinement procedure

Resolution	42.890 - 1.700
R-factor	0.14033
Rwork	0.139
R-free	0.18872
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.305
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	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.046	0.031	0.316
Rmeas	0.055	0.036	0.376
Rpim	0.029	0.020	0.200
Total number of observations	218124
Number of reflections	63599	3331	2681
<I/σ(I)>	8.3
Completeness [%]	94.1	98.5	80.6
Redundancy	3.4	3.5	3.2
CC(1/2)	0.994	0.996	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG3350, 0.2 M Ammonium formate