3PMD
Crystal structure of the sporulation inhibitor pXO1-118 from Bacillus anthracis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-05-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9781 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 89.223, 89.223, 35.819 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.760 |
| R-factor | 0.1802 |
| Rwork | 0.178 |
| R-free | 0.22316 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.069 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.038 | 0.276 |
| Number of reflections | 16351 | |
| <I/σ(I)> | 55.1 | |
| Completeness [%] | 98.9 | 96 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.4 | 298 | 5% PEG1000, 40% PEG400, 0.1 M TrisHCl, pH 5.4, VAPOR DIFFUSION, temperature 298K |
