7MRC

Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-II-052

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	2018-03-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	62.360, 34.890, 110.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.448 - 1.550
R-factor	0.1738
Rwork	0.173
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kcx
RMSD bond length	0.006
RMSD bond angle	1.028
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1-2575_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.448	30.448	1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.038	0.030	0.300
Rmeas	0.042	0.034	0.323
Total number of observations	232153
Number of reflections	35015	418	2512
<I/σ(I)>	25.58	43.93	6.88
Completeness [%]	97.4	88.7	95.3
Redundancy	6.63	5.488	7.12
CC(1/2)	0.999	0.997	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M Sodium chloride, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350