7OE8

C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N5-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-3-(1H-indol-4-yl)-N7-methyl-2,3-dihydrobenzofuran-5,7-dicarboxamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 2
Unit cell lengths	71.934, 52.389, 31.998
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.510 - 1.301
R-factor	0.2042
Rwork	0.204
R-free	0.21470
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	in house model
RMSD bond length	0.009
RMSD bond angle	0.850
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	BUSTER (2.11.7 (6-FEB-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.510	1.370
High resolution limit [Å]	1.300	1.300
Rmerge	0.077	0.303
Number of reflections	29361	3570
<I/σ(I)>	15.8	5.5
Completeness [%]	96.6	82.6
Redundancy	15.8	5.5
CC(1/2)	0.997	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	30% PEG 300, 0.1M MES buffer pH6.5