3DKZ
Crystal structure of the Q7W9W5_BORPA protein from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR208C.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-19 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97907 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 69.646, 69.646, 107.792 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.930 - 2.400 |
| R-factor | 0.238 |
| Rwork | 0.238 |
| R-free | 0.26000 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXDE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.053 | 0.306 |
| Number of reflections | 44952 | |
| <I/σ(I)> | 30.1 | 2.5 |
| Completeness [%] | 98.5 | 99.9 |
| Redundancy | 5.3 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch-under-oil crystallization | 291 | 26% PEG 4000, 0.17M ammonium sulfate, 15% glycerol, microbatch-under-oil crystallization , temperature 291K |
