5EAL

Crystal structure of human WDR5 in complex with compound 9h

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-01-13
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	47.191, 60.962, 64.126
Unit cell angles	110.67, 90.43, 109.47

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.1792
Rwork	0.178
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ur4
RMSD bond length	0.010
RMSD bond angle	1.378
Data reduction software	HKL-2000
Data scaling software	HKL-2000
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	0.071	0.031	0.618
Total number of observations	215444
Number of reflections	54564
<I/σ(I)>	9.5
Completeness [%]	94.2	99.1	90.5
Redundancy	3.9	3.9	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	20% PEG 5K MME, 0.1 M BisTris pH6.5