7P6V

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3ag

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	2018-07-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.91587
Spacegroup name	P 21 21 21
Unit cell lengths	42.611, 52.134, 57.186
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.557 - 1.170
Rwork	0.218
R-free	0.24130
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.003
RMSD bond angle	1.131
Data reduction software	autoPROC
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.590	1.200
High resolution limit [Å]	1.170	1.170
Rmerge	0.078	0.766
Number of reflections	41918	2743
<I/σ(I)>	10.3
Completeness [%]	96.2	87.1
Redundancy	5.7	4.1
CC(1/2)	0.989	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	25% w/v PEG1500, 0.1 SPG pH 5.0