4AKZ

CRYSTAL STRUCTURE OF VIRB8 FROM BRUCELLA SUIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-13
Detector	ADSC QUANTUM 315
Spacegroup name	I 41 2 2
Unit cell lengths	198.440, 198.440, 103.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.936 - 2.250
R-factor	0.1917
Rwork	0.190
R-free	0.21730
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.012
RMSD bond angle	1.022
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall
Low resolution limit [Å]	25.600
High resolution limit [Å]	2.250
Rmerge	0.040
Number of reflections	48076
<I/σ(I)>	37.29
Completeness [%]	97.4
Redundancy	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.6		0.8 M K2HPO4, 0.04 M NA2HPO4 AND 1% DMSO, pH 7.6