6PPA

Crystal structure of the unliganded bromodomain of human BRD7

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	2016-04-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00
Spacegroup name	C 2 2 21
Unit cell lengths	71.300, 99.360, 37.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.650 - 1.770
R-factor	0.1735
Rwork	0.172
R-free	0.20240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	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]	35.650	35.650	1.820
High resolution limit [Å]	1.770	7.920	1.770
Rmerge	0.061	0.051	0.323
Rmeas	0.066	0.056	0.350
Total number of observations	95652
Number of reflections	13502	178	984
<I/σ(I)>	20.33	33.12	6.09
Completeness [%]	99.9	97.3	100
Redundancy	7.084	5.601	6.958
CC(1/2)	0.998	0.998	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	7.5 MG/ML BRD7, 25MM PHOSPHATE PH 6.9, 25MM AMMONIUM SULPHATE, 0.5MM DTT, 25MM BIS-TRIS PH6.5, 15% PENTAERYTHRYTOL ETHOXYLATE 15/4EO/OH