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 |