7MRH

Crystal structure of the first bromodomain (BD1) of human BRDT bound to NC-II-259

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	2019-07-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	66.640, 29.820, 73.220
Unit cell angles	90.00, 98.56, 90.00

Refinement procedure

Resolution	33.930 - 1.980
R-factor	0.1743
Rwork	0.172
R-free	0.22100
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]	33.930	33.930	2.030
High resolution limit [Å]	1.980	8.860	1.980
Rmerge	0.071	0.034	0.555
Rmeas	0.085	0.042	0.661
Total number of observations	64537
Number of reflections	19605	244	1438
<I/σ(I)>	11.23	22.95	3.05
Completeness [%]	96.4	91.7	98
Redundancy	3.292	2.98	3.324
CC(1/2)	0.996	0.998	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M Ammonium citrate tribasic pH 7.0, 20% w/v Polyethylene glycol 3,350