6BQM

Secreted serine protease VesC from Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-18
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97939
Spacegroup name	P 21 21 21
Unit cell lengths	41.651, 83.402, 123.111
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.500 - 2.200
R-factor	0.2024
Rwork	0.201
R-free	0.23390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 4LK4 1uxx 2c9a
RMSD bond length	0.020
RMSD bond angle	1.704
Data reduction software	XDS (November 11, 2013 BUILT=20131111)
Data scaling software	XSCALE (November 11, 2013 BUILT=20131111)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	69.050	69.050	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.096	0.036	0.969
Rmeas	0.104	0.039	1.047
Number of reflections	22516	302	1614
<I/σ(I)>	15.6	44.5	2.27
Completeness [%]	100.0	98.4	100
Redundancy	7.24	5.715	6.985
CC(1/2)	0.998	0.998	0.697

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	294	0.1 M Tris, pH 8.5, 0.2 M calcium chloride, 0.6 M sodium chloride, 25% PEG3350