7JKZ

Bromodomain-containing protein 4 (BRD4) bromodomain 2 (BD2) complexed with YF3-126

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.12713
Spacegroup name	P 31 2 1
Unit cell lengths	63.010, 63.010, 102.722
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.570 - 2.490
R-factor	0.1816
Rwork	0.180
R-free	0.21210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ouo
RMSD bond length	0.012
RMSD bond angle	1.683
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.570	2.590
High resolution limit [Å]	2.490	2.490
Rmerge	0.079	0.442
Rmeas	0.084	0.466
Rpim	0.028	0.147
Number of reflections	8677	958
<I/σ(I)>	16.3	4.9
Completeness [%]	99.7	99.9
Redundancy	9.1	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	0.2 M (NH4)2SO4, 0.1M Na cacodylate pH 6.5, 30% PEG 8000