4LK4

Structure of Vibrio cholerae VesB protease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9999
Spacegroup name	P 42 21 2
Unit cell lengths	121.570, 121.570, 71.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.300 - 2.400
R-factor	0.1896
Rwork	0.187
R-free	0.23630
Structure solution method	MR-SAD
Starting model (for MR)	1eax
RMSD bond length	0.012
RMSD bond angle	1.466
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.300		2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.065	0.023	1.073
Number of reflections	21358	283	1550
<I/σ(I)>	20.43	53.29	2.33
Completeness [%]	99.5	95	99.9
Redundancy	6.31		6.48

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	0.1 M Tris-HCl, pH 9.0, 3.0 M sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 277K