6SAJ

Crystal Structure of BRD4(1) bound to inhibitor BUX6 (12)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99998
Spacegroup name	P 21 21 21
Unit cell lengths	41.404, 47.168, 57.265
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.408 - 1.500
R-factor	0.1553
Rwork	0.154
R-free	0.17980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lyw
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.170	47.170	1.340
High resolution limit [Å]	1.320	7.080	1.320
Rmerge	0.107	0.058	1.294
Rmeas	0.114	0.062	1.368
Rpim	0.036	0.020	0.437
Total number of observations	252428	1774	11730
Number of reflections	26691	221	1254
<I/σ(I)>	11.2	27.7	1.7
Completeness [%]	97.9	99.8	91.1
Redundancy	9.5	8	9.4
CC(1/2)	0.998	0.998	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	HEPES, PEG3350