6SWN

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH iBET-BD1 (GSK778)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.07253
Spacegroup name	P 21 21 21
Unit cell lengths	38.280, 42.320, 90.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.360 - 1.280
Rwork	0.193
R-free	0.21220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.138
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.410	1.330
High resolution limit [Å]	1.280	1.280
Rmerge	0.036	0.187
Number of reflections	36156	2233
<I/σ(I)>	17
Completeness [%]	93.3	60.2
Redundancy	5.3	2.1
CC(1/2)	0.995	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	20% PEG3350, 0.2M NaI, 0.1M BTP, 20C