7OE9

C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH rac-N5-((1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl)-N7,3-dimethyl-3-phenyl-2,3-dihydrobenzofuran-5,7-dicarboxamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-04
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 21 21 2
Unit cell lengths	71.909, 52.446, 32.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.120 - 1.602
R-factor	0.179
Rwork	0.178
R-free	0.20110
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	in house
RMSD bond length	0.009
RMSD bond angle	0.710
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]	52.450	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.024	0.185
Number of reflections	14973	1679
<I/σ(I)>	24.1	4.7
Completeness [%]	90.3	71.5
Redundancy	2.8	2
CC(1/2)	0.997	0.754

Crystallization Conditions

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