8GPZ

Crystal structure of BRD4 bromodomain 1 (BD1) in complex with C239-0012

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	32.158, 47.318, 79.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.666 - 1.528
R-factor	0.1872
Rwork	0.186
R-free	0.21180
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	1.560
High resolution limit [Å]	1.528	1.530
Rmeas	0.104	0.762
Rpim	0.041	0.314
Number of reflections	18654	791
<I/σ(I)>	17.222	2
Completeness [%]	97.7	86.2
Redundancy	6.2	5.1
CC(1/2)	0.999	0.782

Crystallization Conditions

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