1W8E
3D structure of CotA incubated with hydrogen peroxide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 102.720, 102.720, 137.348 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.030 - 2.200 |
| R-factor | 0.163 |
| Rwork | 0.161 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gsk |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.523 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.060 | 0.320 |
| Number of reflections | 42921 | |
| <I/σ(I)> | 21.7 | 3.89 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | pH 5.50 |
