6ZB3

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH GSK620

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9626
Spacegroup name	P 21 21 21
Unit cell lengths	37.092, 44.337, 78.448
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.599 - 1.419
Rwork	0.163
R-free	0.18160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in house structure
RMSD bond length	0.004
RMSD bond angle	1.206
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.448	78.448	1.500
High resolution limit [Å]	1.419	4.490	1.420
Rmerge		0.047	0.108
Rmeas	0.066	0.056	0.139
Rpim	0.026	0.022	0.067
Total number of observations	144211	5195	11379
Number of reflections	24339	904	2867
<I/σ(I)>	21.4	34.4	7.7
Completeness [%]	96.6	99.6	80.3
Redundancy	5.9	5.7	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	30%w/v PEG3350, 0.1M NaAc, 0.1M MES, pH 6.5