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 |