6ONY

BRD2_Bromodomain1 complex with inhibitor 744

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000000
Spacegroup name	P 21 21 21
Unit cell lengths	48.662, 56.071, 106.981
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.490 - 1.980
R-factor	0.2
Rwork	0.198
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.880
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.491	2.009
High resolution limit [Å]	1.975	1.975
Rmerge	0.056	0.950
Rmeas	0.065
Rpim	0.025	0.386
Number of reflections	20711	1032
<I/σ(I)>	16.6	2.5
Completeness [%]	97.6	96.7
Redundancy	6.4	6.9
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	290	0.665 M Ammonium Tartrate, 0.095 M Tris pH 8.5