3W3C

Crystal structure of VirB core domain complexed with the cis-acting site upstream icsb promoter

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.54001
Spacegroup name	P 21 21 2
Unit cell lengths	56.140, 163.400, 39.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.850 - 2.431
R-factor	0.2647
Rwork	0.264
R-free	0.27970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	: 3VWB
RMSD bond length	0.002
RMSD bond angle	0.748
Data reduction software	XDS (package)
Data scaling software	XDS (package)
Phasing software	PHASER (for MR)
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.850	2.580
High resolution limit [Å]	2.430	2.430
Rmerge	0.049
Number of reflections	13895
<I/σ(I)>	20.49	4.77
Completeness [%]	96.6	95.8
Redundancy	4.95	3.97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.3	295	0.1M MgCl2, 0.1M Sodium Acetate, 30% PEG400, 8%(v/v)1,3-Butanediol, pH 4.3, VAPOR DIFFUSION, temperature 295K