3SS6
Crystal structure of the Bacillus anthracis acetyl-CoA acetyltransferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2011-03-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 94.720, 94.720, 189.260 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.400 - 1.700 |
| R-factor | 0.1534 |
| Rwork | 0.152 |
| R-free | 0.17470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.198 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.077 | 0.619 |
| Number of reflections | 107775 | |
| <I/σ(I)> | 27.4 | 3.4 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 10.6 | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 7 | 298 | 2.5M Ammonium Sulfate, 100mM Bis-Tris Propane, pH 7, hanging drop, temperature 298K |
