7L6D

Crystal structure of the second bromodomain (BD2) of human BRD2 bound to bromosporine

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	2019-04-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	84.260, 35.560, 47.080
Unit cell angles	90.00, 118.81, 90.00

Refinement procedure

Resolution	41.254 - 1.550
R-factor	0.1692
Rwork	0.168
R-free	0.18990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oni
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.254	41.254	1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.114	0.071	0.566
Rmeas	0.127	0.078	0.683
Total number of observations	67481
Number of reflections	17806	213	1269
<I/σ(I)>	15.8	27.83	5.81
Completeness [%]	98.8	93.8	96.8
Redundancy	3.79	6.207	2.818
CC(1/2)	0.993	0.974	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Ammonium sulfate, 0.1 M BIS-TRIS pH 6.5, 25 % w/v Polyethylene glycol 3,350