1W2A
Deacetoxycephalosporin C synthase (with his-tag) complexed with Fe(II) and ethylene glycol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 137.800, 137.800, 48.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 59.760 - 2.510 |
| R-factor | 0.229 |
| Rwork | 0.228 |
| R-free | 0.25400 |
| Structure solution method | OTHER |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.472 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.060 | 0.600 |
| Number of reflections | 18252 | |
| <I/σ(I)> | 49 | 3 |
| Completeness [%] | 99.6 | 98.9 |
| Redundancy | 9 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 100 MM HEPES PH8, 0.9-1.1 M AMSO4, pH 8.00 |
