5F1H

Crystal structure of the BRD9 bromodamian in complex with BI-9564.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	70.030, 125.358, 29.681
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.880 - 1.820
R-factor	0.1916
Rwork	0.191
R-free	0.20230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hme
Data reduction software	XDS
Data scaling software	Aimless (0.3.6)
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	70.030	70.030	2.100
High resolution limit [Å]	1.820	3.640	1.820
Rmerge	0.044	0.025	0.523
Rpim	0.019	0.011	0.222
Total number of observations	155044	19369	53623
Number of reflections	24239
<I/σ(I)>	19.9	57.4	3.4
Completeness [%]	99.7	99.5	99.7
Redundancy	6.4	6	6.4
CC(1/2)	0.999	0.999	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	277	glycerol ethoxylate, Tris