7EIG

BRD4-BD1 in complex with LT-730-903

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	2018-10-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	31.230, 46.980, 79.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.381 - 1.300
R-factor	0.182
Rwork	0.181
R-free	0.20160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uy9
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3235)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.381	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.168	0.381
Number of reflections	26945	1116
<I/σ(I)>	8.2
Completeness [%]	92.3
Redundancy	9.3
CC(1/2)	0.972	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	4 M sodium formate