5XO1
Crystal structure of the isochorismatase domain of VabB from Vibrio anguillarum 775
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 143.854, 174.005, 49.558 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.650 - 2.230 |
R-factor | 0.194 |
Rwork | 0.193 |
R-free | 0.21200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xo0 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | autoPROC (1.0.4) |
Data scaling software | autoPROC (1.0.4) |
Phasing software | PHASER (2.5.7) |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 143.850 | 2.238 |
High resolution limit [Å] | 2.230 | 2.230 |
Rmerge | 0.120 | 1.189 |
Rpim | 0.033 | 0.357 |
Number of reflections | 61526 | 588 |
<I/σ(I)> | 14.5 | 1.9 |
Completeness [%] | 99.6 | 90.3 |
Redundancy | 14 | 11.8 |
CC(1/2) | 0.996 | 0.627 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 10% PEG 8000, 0.1M imidazole, 0.2M calcium acetate |