7MRG

Crystal structure of the first bromodomain (BD1) of human BRDT bound to NC-II-153

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	2018-04-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	29.870, 66.620, 142.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.700 - 1.990
R-factor	0.2263
Rwork	0.224
R-free	0.26950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kcx
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.700	48.700	2.040
High resolution limit [Å]	1.990	8.900	1.990
Rmerge	0.128	0.080	0.692
Rmeas	0.139	0.087	0.749
Total number of observations	128444
Number of reflections	19986	273	1434
<I/σ(I)>	8.67	14.15	3.08
Completeness [%]	98.1	96.1	98.6
Redundancy	6.427	5.231	6.794
CC(1/2)	0.994	0.994	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M Ammonium sulfate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 30% w/v Polyethylene glycol 8,000