6AJZ

Joint nentron and X-ray structure of BRD4 in complex with colchicin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	298
Detector technology	CCD
Collection date	2017-05-14
Detector	ADSC QUANTUM 210r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	36.763, 47.101, 79.052
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.278 - 1.847
R-factor	0.2054
Rwork	0.204
R-free	0.23460
RMSD bond length	0.010
RMSD bond angle	1.412
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.500	1.900	1.350
High resolution limit [Å]	1.300	1.850	1.300
Rpim	0.022	0.294	0.171
Number of reflections	33279
<I/σ(I)>	18.9
Completeness [%]	96.5
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.9M sodium formate, 17mM Tris, 83mM Tris-HCl in D2O
1	VAPOR DIFFUSION, SITTING DROP		293	2.9M sodium formate, 17mM Tris, 83mM Tris-HCl in D2O