7MRA

Crystal structure of the first bromodomain (BD1) of human BRD4 bound to NC-II-259

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	37.910, 42.770, 78.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.170 - 1.160
R-factor	0.1759
Rwork	0.175
R-free	0.18640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mxf
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.170	34.170	1.190
High resolution limit [Å]	1.160	5.190	1.160
Rmerge	0.063	0.040	0.873
Rmeas	0.066	0.042	0.920
Total number of observations	524382
Number of reflections	41072	582	1795
<I/σ(I)>	20.14	40.81	3.02
Completeness [%]	90.8	98.8	54.1
Redundancy	12.767	11.18	10.278
CC(1/2)	0.999	0.999	0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M Sodium chloride, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350