8A7I

Crystal structure of BRD9 bromodomain in complex with compound EA-89

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	36.083, 66.386, 55.883
Unit cell angles	90.00, 105.83, 90.00

Refinement procedure

Resolution	41.780 - 1.760
R-factor	0.2023
Rwork	0.201
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yy6
RMSD bond length	0.009
RMSD bond angle	0.820
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (8-JUN-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.764	1.823
High resolution limit [Å]	1.760	1.760
Rmerge	0.020	0.236
Number of reflections	21364	2507
<I/σ(I)>	17.55	2.57
Completeness [%]	84.5
Redundancy	1.9
CC(1/2)	1.000	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	15% PEG 3350, 0.1M Succinic Acid