6ZEL

CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound F5

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-04
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	37.235, 44.141, 78.441
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.221 - 1.120
Rwork	0.125
R-free	0.14660
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3mxf
RMSD bond length	0.010
RMSD bond angle	1.726
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.221	1.140
High resolution limit [Å]	1.120	1.120
Number of reflections	48062	1773
<I/σ(I)>	25.6
Completeness [%]	95.4
Redundancy	7
CC(1/2)	0.998	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.1M bis-tris-propane pH 7.9, 20% PEG3350, 0.2M sodium fluoride, 10% ethylene glycol