3CPK
Crystal structure of the Q7W7N7_BORPA protein from Bordetella parapertussis. Northeast Structural Genomics Consortium target BeR31
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-30 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97901, 0.97928, 0.96785 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 43.510, 43.510, 118.224 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.830 - 2.500 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.25300 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.120 | 0.565 |
| Number of reflections | 15148 | |
| <I/σ(I)> | 20.4 | 2.95 |
| Completeness [%] | 99.6 | 96.6 |
| Redundancy | 5.6 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 15-20% PEG 8000, 0.1M Manganese chloride, 0.1M MOPS pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
