8GQ0

Crystal structure of BRD4 bromodomain 1 (BD1) in complex with STL233497

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	32.281, 47.576, 79.344
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.803 - 1.440
R-factor	0.1771
Rwork	0.176
R-free	0.18940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kei
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.460
High resolution limit [Å]	1.440	1.440
Rmeas	0.072	0.647
Rpim	0.029	0.273
Number of reflections	22530	924
<I/σ(I)>	26	2
Completeness [%]	98.5
Redundancy	6.1
CC(1/2)	1.000	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287	6 M Sodium formate, 10% Glycerol