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 |
