4A6W
X-ray structures of oxazole hydroxamate EcMetAp-Mn complexes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.350, 62.910, 52.600 |
| Unit cell angles | 90.00, 109.40, 90.00 |
Refinement procedure
| Resolution | 31.250 - 1.460 |
| R-factor | 0.15669 |
| Rwork | 0.153 |
| R-free | 0.22623 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2mat |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.049 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.250 | 1.570 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.080 | 0.220 |
| Number of reflections | 38522 | |
| <I/σ(I)> | 8.5 | 4.7 |
| Completeness [%] | 97.9 | 96.2 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | pH 7.5 |
