7MRD

Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-II-082

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
Spacegroup name	P 21 21 21
Unit cell lengths	34.850, 63.170, 112.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.300 - 1.390
R-factor	0.2015
Rwork	0.201
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kcx
RMSD bond length	0.005
RMSD bond angle	0.991
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]	56.300	56.300	1.430
High resolution limit [Å]	1.390	6.220	1.390
Rmerge	0.122	0.052	2.709
Rmeas	0.127	0.055	2.814
Total number of observations	657586
Number of reflections	50695	664	3679
<I/σ(I)>	11.23	32.76	1
Completeness [%]	99.4	99.1	99.2
Redundancy	12.971	11.152	13.653
CC(1/2)	0.998	0.998	0.399

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M HEPES pH 7.5, 25% w/v Polyethylene glycol 3,350