7EHW

BRD4-BD1 in complex with LT-642-602

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	2018-12-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	32.160, 47.300, 82.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.054 - 1.650
R-factor	0.21
Rwork	0.208
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qr4
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3235)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.010	1.680
High resolution limit [Å]	1.650	1.650
Rmerge		0.452
Number of reflections	14169	679
<I/σ(I)>	4.8
Completeness [%]	91.0
Redundancy	4
CC(1/2)	0.980	0.371

Crystallization Conditions

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