3HDJ
The crystal structure of probable ornithine cyclodeaminase from Bordetella pertussis Tohama I
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 | 2008-12-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.405, 50.923, 106.999 |
| Unit cell angles | 90.00, 100.98, 90.00 |
Refinement procedure
| Resolution | 39.410 - 1.700 |
| R-factor | 0.17993 |
| Rwork | 0.178 |
| R-free | 0.21189 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.488 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.500 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.092 | 0.765 |
| Number of reflections | 73662 | |
| <I/σ(I)> | 24.7 | 1.64 |
| Completeness [%] | 99.5 | 97.7 |
| Redundancy | 4.5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 297 | 2.5M NaCl, 0.1M imidazole, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
