5Y1Y

Complex structure of nitroxoline with the first bromodomain of BRD4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-05
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	32.892, 47.298, 78.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.510 - 1.912
R-factor	0.1837
Rwork	0.179
R-free	0.22380
RMSD bond length	0.006
RMSD bond angle	0.801
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.510
High resolution limit [Å]	1.912
Number of reflections	9973
<I/σ(I)>	36.87
Completeness [%]	100.0
Redundancy	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	10-15% glycerol, 4M sodium formate