3HD5
Crystal structure of a thiol:disulfide interchange protein dsbA from Bordetella parapertussis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 69.091, 69.091, 278.078 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.710 - 2.350 |
| R-factor | 0.222 |
| Rwork | 0.222 |
| R-free | 0.26500 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.710 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.123 | 0.524 |
| Number of reflections | 53663 | |
| <I/σ(I)> | 8 | 3 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 13.5 | 13.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.2M Lithium sulfate monohydrate, 0.1M Bis-Tris, 25% Polyethylene glycol 3,350., pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
