6V14

Crystal structure of the bromodomain of human BRD9 bound to TP472

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	CCD
Collection date	2017-04-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	23.270, 33.860, 37.680
Unit cell angles	104.10, 102.10, 105.91

Refinement procedure

Resolution	34.904 - 1.700
R-factor	0.1459
Rwork	0.145
R-free	0.17090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBID 3HME
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14-3260_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.904	34.904	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.021	0.018	0.072
Rmeas	0.026	0.022	0.101
Total number of observations	28801
Number of reflections	11091	115	741
<I/σ(I)>	30.91	59.29	8.12
Completeness [%]	98.1	90.6	92.5
Redundancy	2.597	3.435	1.644
CC(1/2)	0.999	0.999	0.985

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