7RJR

Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with BCLTF1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-04-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	37.321, 43.796, 78.438
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.010 - 1.450
R-factor	0.1724
Rwork	0.171
R-free	0.20720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mxf
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	23.010	23.010	1.480
High resolution limit [Å]	1.450	7.970	1.450
Rmerge	0.098	0.044	0.602
Rmeas	0.102	0.047	0.634
Rpim	0.029	0.013	0.195
Total number of observations	292317	1780	9892
Number of reflections	23219	175	1043
<I/σ(I)>	15.7	36.2	3.3
Completeness [%]	99.5	96.9	91.1
Redundancy	12.6	10.2	9.5
CC(1/2)	0.999	0.999	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	30% w/v PEG4000, 0.2 M sodium acetate trihydrate, 0.1 M Tris-HCl