6DY7

WDR5 in complex with a WIN site inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	81.162, 86.272, 40.594
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.562 - 1.900
R-factor	0.165
Rwork	0.163
R-free	0.19860
RMSD bond length	0.004
RMSD bond angle	0.917
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (dev_1760)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.065	0.029	0.613
Rmeas	0.070	0.032	0.665
Rpim	0.026	0.012	0.255
Number of reflections	23224	1266	1167
<I/σ(I)>	11.6
Completeness [%]	99.9	97.8	99.7
Redundancy	7	6.4	6.6
CC(1/2)		0.999	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Bis-Tris pH 6.0, 0.2 M ammonium acetate, 28% to 32% PEG3350