3GSE
Crystal structure of menaquinone-specific isochorismate synthase from Yersinia pestis CO92
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-18 |
Detector | SBC-3 |
Wavelength(s) | 0.9794 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 84.190, 76.997, 70.414 |
Unit cell angles | 90.00, 90.39, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.280 |
R-factor | 0.19604 |
Rwork | 0.193 |
R-free | 0.25190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bzn |
RMSD bond length | 0.014 |
RMSD bond angle | 1.477 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.340 |
High resolution limit [Å] | 2.280 | 2.300 |
Rmerge | 0.035 | 0.119 |
Number of reflections | 20090 | |
<I/σ(I)> | 21.7 | 12 |
Completeness [%] | 98.1 | 99.4 |
Redundancy | 2.9 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 1.6 M Ammonium sulfate 10% dioxane, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |