3QQ2
Crystal Structure of the Beta Domain of the Bordetella Autotransporter Brka
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.07176 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.510, 122.372, 405.549 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 3.000 |
| R-factor | 0.269 |
| Rwork | 0.266 |
| R-free | 0.32400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qom |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.588 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.145 | 0.315 |
| Number of reflections | 29563 | |
| <I/σ(I)> | 35.4 | 3.268 |
| Completeness [%] | 96.5 | 75 |
| Redundancy | 8.4 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 100MM TIS-HCL, 10MM SPERMIDINE, 200MM LICL, 25% PEG 2000, PH8.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K |
