6V0S

Crystal structure of the bromodomain of human BRD9 bound to TG003

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-30
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	74.634, 123.013, 31.693
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.317 - 2.400
R-factor	0.1942
Rwork	0.192
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hme
Data reduction software	DIALS
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER
Refinement software	PHENIX (1.14-3260_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.630	74.630	2.490
High resolution limit [Å]	2.400	8.980	2.400
Rmerge	0.034	0.022	0.316
Rmeas	0.036	0.024	0.332
Rpim	0.011	0.008	0.100
Total number of observations	128464	2434	13568
Number of reflections	12097	293	1242
<I/σ(I)>	37.4	83.2	7.6
Completeness [%]	100.0	99.8	99.8
Redundancy	10.6	8.3	10.9
CC(1/2)	1.000	1.000	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		291	0.2 M Li2SO4, 0.1 M HEPES (pH 7.5), 25% w/v PEG 3,350