9LWY

Crystal structure of human WDR5 in complex with compound 4

This is a non-PDB format compatible entry.

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	2024-06-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	79.726, 100.512, 81.789
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.890 - 1.550
R-factor	0.1694
Rwork	0.168
R-free	0.19050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.248
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.580
High resolution limit [Å]	1.550	4.210	1.550
Rmerge	0.176	0.138	0.732
Rmeas	0.184	0.144	0.767
Rpim	0.051	0.041	0.227
Total number of observations	611317
Number of reflections	47931	2562	2355
<I/σ(I)>	5.8
Completeness [%]	100.0	100	100
Redundancy	12.8	12.3	11.3
CC(1/2)	0.988	0.984	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG3350, Bis-Tris, ammonium acetate