6ZB2

C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK549

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	2015-03-25
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 21 21 2
Unit cell lengths	72.017, 52.327, 32.033
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.330 - 2.282
Rwork	0.139
R-free	0.23390
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	in house structure
RMSD bond length	0.008
RMSD bond angle	1.475
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.330	42.330
High resolution limit [Å]	2.280	2.280
Rmerge	0.270	0.065
Number of reflections	5759	1993
<I/σ(I)>	26.4	13.8
Completeness [%]	98.4	99.6
Redundancy	2.7	2.7
CC(1/2)	0.981	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	30% PEG 300, 0.1M MES buffer pH6.5