6Z7L

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with GSK789

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-10
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	43.968, 48.286, 61.245
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.919 - 1.624
Rwork	0.183
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in house structure
RMSD bond length	0.004
RMSD bond angle	1.213
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.920	1.710
High resolution limit [Å]	1.620	1.620
Rmerge	0.041	0.331
Number of reflections	15543	1831
<I/σ(I)>	17.5	2.7
Completeness [%]	91.7	76.2
Redundancy	2.7	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1M MES pH 6.5, 15% v/v PEG400