8T5I

Crystal structure of human WDR5 in complex with MR4397

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-09
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	101.382, 86.370, 80.796
Unit cell angles	90.00, 96.59, 90.00

Refinement procedure

Resolution	49.060 - 1.700
R-factor	0.19722
Rwork	0.197
R-free	0.23174
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.398
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

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	0.135	0.065	0.982
Rmeas	0.149	0.071	1.087
Rpim	0.062	0.029	0.456
Total number of observations	416078
Number of reflections	72369	3661	3548
<I/σ(I)>	7.7
Completeness [%]	95.9	94.4	95.1
Redundancy	5.7	6	5.4
CC(1/2)	0.983	0.993	0.658

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	25% PEG3350, 0.2 M (NH4)2SO4, 0.1M BTP pH 7.0