5SXM

WDR5 in complex with MLL Win motif peptidomimetic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-26
Detector	ADSC QUANTUM 270
Wavelength(s)	0.977
Spacegroup name	P 31
Unit cell lengths	74.938, 74.938, 93.544
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.945 - 2.000
R-factor	0.2154
Rwork	0.214
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h14
RMSD bond length	0.003
RMSD bond angle	0.884
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.945	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.123	0.071	0.825
Number of reflections	45994
<I/σ(I)>	7.8	64.2	2.4
Completeness [%]	100.0	99.9	100
Redundancy	8	8.1	5.4
CC(1/2)		0.997	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.1M sodium citrate pH 5.6, 15% 2-propanol, and 17% PEG 4000, and 10mM ATP