4AY3
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 | 2009-03-17 |
| Detector | QUANTUM |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 86.876, 86.876, 131.370 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.530 - 1.760 |
| R-factor | 0.15301 |
| Rwork | 0.152 |
| R-free | 0.17789 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xmp |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.451 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0027) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.060 | 0.370 |
| Number of reflections | 57503 | |
| <I/σ(I)> | 56.69 | 8.07 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 10.9 | 10.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.75M SODIUM ACETATE, 0.1M CACODYLATE PH 6.5 |
