3CCY
Crystal structure of a TetR-family transcriptional regulator from Bordetella parapertussis 12822
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 | 2007-12-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97904 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 56.920, 56.989, 168.271 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.980 - 2.010 |
| R-factor | 0.20036 |
| Rwork | 0.198 |
| R-free | 0.24183 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.437 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.000 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.114 | 0.672 |
| Number of reflections | 18617 | |
| <I/σ(I)> | 22.4 | 2.17 |
| Completeness [%] | 99.6 | 97.6 |
| Redundancy | 6.2 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 1.5M NH4Cl, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
