7EHY

BRD4-BD1 in complex with LT-448-138

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 PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	32.140, 47.320, 78.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.280 - 1.510
R-factor	0.1892
Rwork	0.188
R-free	0.20670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uy9
RMSD bond length	0.008
RMSD bond angle	1.377
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.570	1.530
High resolution limit [Å]	1.510	1.510
Rmerge		2.351
Number of reflections	19508	958
<I/σ(I)>	0.218
Completeness [%]	99.3
Redundancy	5.4
CC(1/2)	0.982	0.347

Crystallization Conditions

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