9UK4

Crystal structure of WDR5 in complex with peptide Ac-ARA-NH2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	77.830, 99.050, 80.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.670 - 2.120
R-factor	0.2028
Rwork	0.201
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.987
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.670	2.180
High resolution limit [Å]	2.120	2.120
Number of reflections	17945	1316
<I/σ(I)>	9.3
Completeness [%]	99.8
Redundancy	12.6
CC(1/2)	0.996	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M HEPES pH 7.0, 30% v/v Jeffamine ED-2001 pH 7.0