4ERY

X-ray structure of WDR5-MLL3 Win motif peptide binary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Detector technology	CCD
Collection date	2009-10-01
Detector	ADSC QUANTUM 270
Wavelength(s)	0.917
Spacegroup name	P 21 21 21
Unit cell lengths	46.530, 68.250, 87.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.940 - 1.300
R-factor	0.1878
Rwork	0.187
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.178
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.240
High resolution limit [Å]	1.220	3.310	1.220
Rmerge	0.081	0.063	0.634
Number of reflections	83725
<I/σ(I)>	11.9
Completeness [%]	99.6	96.2	96.9
Redundancy	12.3	12.8	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	7.5	294	PEG3350, Ammonium Sulfate, HEPES, pH 7.5, hanging drop, temperature 294K