5EAM

Crystal structure of human WDR5 in complex with compound 9o

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	2012-01-25
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 1
Unit cell lengths	46.939, 54.779, 64.011
Unit cell angles	107.17, 90.21, 112.61

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.1973
Rwork	0.197
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ur4
RMSD bond length	0.010
RMSD bond angle	1.417
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.105	0.068	0.437
Rmeas	0.126	0.082	0.533
Rpim	0.068	0.045	0.300
Total number of observations	162177
Number of reflections	50164
<I/σ(I)>	7.3
Completeness [%]	96.5	99.6	77.9
Redundancy	3.2	3.3	3
CC(1/2)		0.987	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	25% PEG3350, 0.1M NH4SO4, 0.1 M BisTris pH6.5