7UBO

Crystal Structure of the first bromodomain of human BRDT in complex with the inhibitor CCD-956

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2022-02-05
Detector	MAR CCD 130 mm
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	61.691, 94.382, 112.651
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.370 - 1.820
R-factor	0.1779
Rwork	0.177
R-free	0.19950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4flp
Data reduction software	HKL-2000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.370	1.885
High resolution limit [Å]	1.820	1.820
Number of reflections	113916	5882
<I/σ(I)>	8.3
Completeness [%]	100.0
Redundancy	12.7
CC(1/2)	0.991	0.306

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	1.26 M Ammonium Sulfate, 0.1 M Tris 8.5, 0.2 M Lithium Sulfate