5IWH
Structure of P. vulgaris HigB toxin delta H92
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-07 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 55.776, 33.166, 51.492 |
| Unit cell angles | 90.00, 115.49, 90.00 |
Refinement procedure
| Resolution | 14.974 - 1.101 |
| R-factor | 0.1401 |
| Rwork | 0.138 |
| R-free | 0.16890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4px8 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.481 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.3_1479) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.140 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Number of reflections | 32761 | |
| <I/σ(I)> | 20.7 | 9.3 |
| Completeness [%] | 94.7 | 96.7 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 30-40% w/v polyethylene glycol monomethylether 2,000 and 0.15 M KBr |
