6DYA

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	81.909, 86.793, 41.985
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.396 - 2.560
R-factor	0.1867
Rwork	0.182
R-free	0.23030
RMSD bond length	0.003
RMSD bond angle	0.773
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	2.570
High resolution limit [Å]	2.530	6.860	2.530
Rmerge	0.089	0.050	0.509
Rmeas	0.099	0.056	0.563
Rpim	0.041	0.025	0.236
Number of reflections	9905	563	473
<I/σ(I)>	7.3
Completeness [%]	99.8	98.9	100
Redundancy	5.5	4.7	5.6
CC(1/2)		0.997	0.906

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