4QL1

Crystal structure of human WDR5 in complex with compound OICR-9429

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-25
Detector	RAYONIX MX300HE
Wavelength(s)	0.97949
Spacegroup name	P 1
Unit cell lengths	46.843, 56.628, 64.688
Unit cell angles	71.45, 88.94, 65.43

Refinement procedure

Resolution	50.000 - 1.500
R-factor	0.196
Rwork	0.195
R-free	0.22660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ur4
RMSD bond length	0.009
RMSD bond angle	1.373
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.067	0.047	0.392
Number of reflections	85828
<I/σ(I)>	39.5
Completeness [%]	94.8	96	70.2
Redundancy	3.7	3.5	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	25% PEG 3350, 0.2 M NH4oAC, 0.1 M BisTris pH6.5, vapor diffusion hanging drop, temperature 291K