24KK

Crystal structure of the second bromodomain (BD2) of human BRD2 in complex with Mefanamic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	300
Detector technology	PIXEL
Collection date	2025-02-18
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54056
Spacegroup name	P 21 21 2
Unit cell lengths	52.494, 71.838, 32.167
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.430 - 1.200
R-factor	0.173
Rwork	0.172
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vrm
RMSD bond length	0.006
RMSD bond angle	0.912
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.430	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.083	0.559
Rmeas	0.083
Number of reflections	38722	1865
<I/σ(I)>	31	1.76
Completeness [%]	99.4
Redundancy	6
CC(1/2)	0.990	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	PEG MME 2000, 50mM Tris, 50mM NaCl