7CFQ

Crystal structure of WDR5 in complex with H3K4me3Q5ser peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	78.356, 98.377, 80.338
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.240 - 1.600
R-factor	0.1645
Rwork	0.163
R-free	0.18960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gnq
RMSD bond length	0.008
RMSD bond angle	1.417
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.079	0.052	0.275
Rmeas	0.082	0.055	0.287
Rpim	0.023	0.015	0.080
Total number of observations	538967
Number of reflections	41189	2219	2039
<I/σ(I)>	6.9
Completeness [%]	100.0	100	100
Redundancy	13.1	12.8	12.8
CC(1/2)		0.997	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	0.15M ammonium sulfate, 0.1M MES pH 5.5, 25% PEG 4000, 2% PEG 3350