7L72

Crystal structure of the second bromodomain (BD2) of human BRD3 bound to Ro3280

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2019-01-13
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5417
Spacegroup name	C 1 2 1
Unit cell lengths	55.580, 63.270, 40.040
Unit cell angles	90.00, 109.99, 90.00

Refinement procedure

Resolution	37.630 - 1.500
R-factor	0.1533
Rwork	0.152
R-free	0.18170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s92
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19_4085)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.630	37.630	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.060	0.061	0.042
Rmeas	0.073	0.073	0.059
Number of reflections	19458	243	1269
<I/σ(I)>	12.83	18.26	8.26
Completeness [%]	93.0	96	82.2
Redundancy	2.057	3.329	1.27
CC(1/2)	0.992	0.989	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M L-Proline, 0.1 M HEPES pH 7.5, 10 % w/v Polyethylene glycol 3,350