1W2O
Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and deacetoxycephalosporin C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 139.100, 139.100, 48.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.640 - 3.000 |
| R-factor | 0.276 |
| Rwork | 0.272 |
| R-free | 0.33400 |
| Structure solution method | OTHER |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.794 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.100 | 0.290 |
| Number of reflections | 11128 | |
| <I/σ(I)> | 20 | 4 |
| Completeness [%] | 96.9 | 92.9 |
| Redundancy | 10 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 100 MM HEPES PH 8, 0.9-1.1 M AMSO4 |
