4QQE

Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-01
Detector	RAYONIX MX-300
Wavelength(s)	0.97959
Spacegroup name	P 21 21 2
Unit cell lengths	80.896, 85.267, 40.209
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.1749
Rwork	0.173
R-free	0.21780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ia9
RMSD bond length	0.009
RMSD bond angle	1.399
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.107	0.050	0.872
Number of reflections	26561
<I/σ(I)>	7.1
Completeness [%]	100.0	99.9	100
Redundancy	7.8	7.1	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	22% PEG3350, 0.2 M ammonium acetate, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K