7LAH

Crystal structure of the first bromodomain (BD1) of human BRD2 bound to bromosporine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-27
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	55.870, 80.670, 47.680
Unit cell angles	90.00, 137.53, 90.00

Refinement procedure

Resolution	40.606 - 1.600
R-factor	0.1815
Rwork	0.180
R-free	0.20560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7l9g
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.606	40.606	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.023	0.020	0.344
Rmeas	0.029	0.023	0.487
Total number of observations	36983
Number of reflections	18289	210	1288
<I/σ(I)>	18.55	55.86	1.51
Completeness [%]	95.9	90.1	91.3
Redundancy	2.022	3.371	1.576
CC(1/2)	0.999	0.999	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Trimethylamine N-oxide dihydrate, 0.1 M Tris pH 8.5, 20 % w/v Polyethylene glycol monomethyl ether 2,000