4B4K
Crystal structure of Bacillus anthracis PurE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-24 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.563, 151.904, 134.849 |
| Unit cell angles | 90.00, 98.33, 90.00 |
Refinement procedure
| Resolution | 47.110 - 2.500 |
| R-factor | 0.18209 |
| Rwork | 0.180 |
| R-free | 0.21712 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xmp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.314 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.070 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.070 | 0.420 |
| Number of reflections | 56146 | |
| <I/σ(I)> | 38.19 | 8.88 |
| Completeness [%] | 93.4 | 89.5 |
| Redundancy | 5.1 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1M CACODYLATE PH 6.5, 0.3-0.4M SODIUM ACETATE |
