3OS4
The Crystal Structure of Nicotinate Phosphoribosyltransferase from Yersinia pestis
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-09 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.394, 50.681, 87.184 |
| Unit cell angles | 81.95, 83.39, 71.95 |
Refinement procedure
| Resolution | 33.929 - 1.601 |
| R-factor | 0.163 |
| Rwork | 0.162 |
| R-free | 0.19300 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.315 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.6.2_432)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 93645 | |
| <I/σ(I)> | 15.8 | 3.6 |
| Completeness [%] | 93.4 | 60.5 |
| Redundancy | 2.6 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 0.2M magnesium chloride hexahydrate, 0.1M Bis-Tris pH 5.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
