8CZA

Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-IV-075

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	94.801, 175.737, 143.071
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.400 - 2.960
R-factor	0.2072
Rwork	0.204
R-free	0.26760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kcx
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.400	3.040
High resolution limit [Å]	2.960	2.960
Rmeas	0.255	2.230
Number of reflections	24746	1835
<I/σ(I)>	8.9	1.3
Completeness [%]	97.9	99.9
Redundancy	6.4	6.5
CC(1/2)	0.995	0.373

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.2 M Lithium sulfate monohydrate, 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3,350