7R5B

Crystal structure of BRD4(1) in complex with the inhibitor MPM2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.918809
Spacegroup name	P 21 21 21
Unit cell lengths	37.688, 44.253, 78.191
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.100 - 1.770
R-factor	0.1744
Rwork	0.173
R-free	0.19370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lyw
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18.2-3874-000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.250	44.250	1.810
High resolution limit [Å]	1.770	9.050	1.770
Rmerge	0.108	0.039	1.622
Rmeas	0.113	0.041
Rpim	0.031	0.012	0.572
Total number of observations	165494
Number of reflections	13126	131	662
<I/σ(I)>	15.1
Completeness [%]	99.4	99.7	91.5
Redundancy	12.6	10.1	8.6
CC(1/2)	0.999	1.000	0.487

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350