9FBY

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with (5-(4-chloro-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-27
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	39.589, 49.042, 58.138
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.744 - 1.853
Rwork	0.184
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.241
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.590	2.030
High resolution limit [Å]	1.850	1.850
Rmerge	0.062	0.287
Number of reflections	9882	2285
<I/σ(I)>	10.9	2.8
Completeness [%]	98.5	97.8
Redundancy	2.6	2.6
CC(1/2)	0.969	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M MMT(Malic acid, MES, Tris) pH9.0,25% w/v PEG1500