6V1B

Crystal structure of the bromodomain of human BRD9 bound to I-BRD9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	56.990, 38.500, 60.920
Unit cell angles	90.00, 108.99, 90.00

Refinement procedure

Resolution	57.610 - 1.350
R-factor	0.1831
Rwork	0.183
R-free	0.20250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6uzf
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.610	57.610	1.390
High resolution limit [Å]	1.350	6.040	1.350
Rmerge	0.045	0.033	0.571
Rmeas	0.053	0.038	0.667
Total number of observations	200920
Number of reflections	53866	619	3956
<I/σ(I)>	12.83	29.6	1.98
Completeness [%]	97.4	91.4	97
Redundancy	3.73	3.648	3.75
CC(1/2)	0.998	0.997	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M KSCN, 30% w/v PEG MME 2,000