5O97

Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00001
Spacegroup name	P 21 21 21
Unit cell lengths	37.316, 44.511, 78.397
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.199 - 1.300
R-factor	0.1799
Rwork	0.179
R-free	0.19930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oss
RMSD bond length	0.006
RMSD bond angle	1.026
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.510	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.058	0.455
Number of reflections	32824	1605
<I/σ(I)>	17	3.9
Completeness [%]	99.7	99.7
Redundancy	6.7	6.3
CC(1/2)	0.997	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M HEPES, pH8.0, 30% PEG5000MME