3GTZ
Crystal structure of a putative translation initiation inhibitor from Salmonella typhimurium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-26 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97958 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 100.390, 100.390, 131.939 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.233 |
| Rwork | 0.232 |
| R-free | 0.26000 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.489 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | SHELXCD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.875 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.089 | 0.436 |
| Total number of observations | 100080 | |
| Number of reflections | 24012 | |
| <I/σ(I)> | 33.3 | 8.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 28.7 | 29.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 294 | 10% PEG 6K, 2.0M sodium chloride, pH 7.0, vapor diffusion, temperature 294K |
