7EIL

BRD4-BD1 in complex with LT-909-110

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	32.260, 47.290, 79.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.920 - 1.700
R-factor	0.1914
Rwork	0.189
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ufo
RMSD bond length	0.004
RMSD bond angle	1.177
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.920	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.205	1.100
Number of reflections	14046	713
<I/σ(I)>	4.8
Completeness [%]	99.9
Redundancy	5.7
CC(1/2)	0.976	0.362

Crystallization Conditions

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