8WQO

Crystal structure of BRD4-BD1 bound with DI106

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	37.523, 46.314, 77.251
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.630 - 1.130
R-factor	0.1992
Rwork	0.199
R-free	0.21220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.060
Data scaling software	Aimless
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.630	1.190
High resolution limit [Å]	1.130	1.130
Rmerge	0.061	0.232
Rmeas	0.064	0.269
Rpim	0.019	0.132
Total number of observations		8351
Number of reflections	80245	2095
<I/σ(I)>	29.1	6.4
Completeness [%]	83.5
Redundancy	10.9	4
CC(1/2)	0.997	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	3.4 M sodium formate and 10 % glycerol