6V0X

Crystal structure of the bromodomain of human BRD9 bound to sunitinib

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	2018-10-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	32.530, 112.062, 30.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.241 - 1.500
R-factor	0.1984
Rwork	0.197
R-free	0.22290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6uzf
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]	32.530	32.530	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.109	0.027	3.237
Rmeas	0.114	0.029	3.366
Rpim	0.032	0.009	0.913
Total number of observations	239696	1552	11320
Number of reflections	18344	150	849
<I/σ(I)>	22.6	53.1	3
Completeness [%]	97.9	98.3	95.2
Redundancy	13.1	10.3	13.3
CC(1/2)	0.994	0.999	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M NaCl, 0.1 M Bis-Tris (pH 5.5), and 25% PEG 3350