4PWZ
Crystal structure of TolB protein from Yersinia pestis CO92
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.440, 95.813, 80.514 |
| Unit cell angles | 90.00, 95.39, 90.00 |
Refinement procedure
| Resolution | 30.740 - 1.732 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c5k |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.287 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_1593)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.750 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Number of reflections | 81921 | |
| <I/σ(I)> | 13.2 | 1.9 |
| Completeness [%] | 99.2 | 86.5 |
| Redundancy | 4.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1 M MES, pH 6.5, 10% PEG5000 MME, 12% 1-propanol, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
