26FF

Crystal structure of the second bromodomain (BD2) of human Bromodomain-containing protein 4 (BRD4) complexed with 2-(benzylamino)pyrimidin-4(3H)-one

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-13
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	48.046, 63.820, 75.241
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.300 - 2.400
R-factor	0.2211
Rwork	0.217
R-free	0.26130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uex
RMSD bond length	0.002
RMSD bond angle	0.499
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.710	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	9412	962
<I/σ(I)>	7
Completeness [%]	99.1
Redundancy	4
CC(1/2)	0.986	0.938

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	25-30 % PEG 2000 and 0.1 M MIB buffer (pH 7.0).