7OE6

C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N4-hydroxycyclohexyl-N2-methyl-5-phenylethyl-furan-2,4-dicarboxamide

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	2019-01-22
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 21 21 2
Unit cell lengths	72.007, 52.532, 32.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.140 - 1.762
Rwork	0.156
R-free	0.18930
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	in house structure
RMSD bond length	0.004
RMSD bond angle	1.187
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.440	1.860
High resolution limit [Å]	1.760	1.760
Rmerge	0.079	0.467
Number of reflections	12247	1783
<I/σ(I)>	11.5	2.7
Completeness [%]	97.5	99.6
Redundancy	3.4	3.3
CC(1/2)	0.997	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	30% PEG 300, 0.1M MES buffer pH6.5