1W6L
3D structure of CotA incubated with CuCl2
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 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 102.066, 102.066, 137.975 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.280 - 2.000 |
| R-factor | 0.149 |
| Rwork | 0.148 |
| R-free | 0.17300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gsk |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.461 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.060 | 0.340 |
| Number of reflections | 56356 | |
| <I/σ(I)> | 9.76 | 1.91 |
| Completeness [%] | 99.4 | 96 |
| Redundancy | 5.49 | 5.35 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | pH 5.50 |
