4A6V
X-ray structures of oxazole hydroxamate EcMetAp-Mn complexes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.230, 61.250, 77.760 |
| Unit cell angles | 90.00, 107.62, 90.00 |
Refinement procedure
| Resolution | 74.110 - 1.460 |
| R-factor | 0.16234 |
| Rwork | 0.159 |
| R-free | 0.22251 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2mat |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.054 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.060 | 1.540 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.090 | 0.280 |
| Number of reflections | 80700 | |
| <I/σ(I)> | 7.1 | 3.4 |
| Completeness [%] | 98.3 | 97.3 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | VAPOUR DIFFUSION 17 TO 25 % PEG 8000, HEPES, pH 7.5 |
