3IH6
Crystal structure of putative zinc protease from Bordetella pertussis Tohama I
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 | 2009-03-12 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97940 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 110.931, 130.977, 76.682 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.540 - 2.150 |
| R-factor | 0.21024 |
| Rwork | 0.207 |
| R-free | 0.26830 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.466 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.170 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.043 | 0.130 |
| Number of reflections | 59966 | |
| <I/σ(I)> | 43.6 | 9.08 |
| Completeness [%] | 97.2 | 91.8 |
| Redundancy | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2M potassium Sodium Tartrate, 20% PEG 3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
