3AG6
Crystal Structure of Pantothenate Synthetase from Staphylococcus aureus in complex with pantoyl adenylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.026, 91.453, 87.342 |
| Unit cell angles | 90.00, 103.11, 90.00 |
Refinement procedure
| Resolution | 39.640 - 1.850 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 85.100 |
| High resolution limit [Å] | 1.850 |
| Rmerge | 0.091 |
| Number of reflections | 59235 |
| Completeness [%] | 98.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
