1W2N
Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and ampicillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 138.800, 138.800, 48.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.180 - 2.700 |
| R-factor | 0.249 |
| Rwork | 0.246 |
| R-free | 0.28700 |
| Structure solution method | OTHER |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.823 |
| 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 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.100 | 0.500 |
| Number of reflections | 14997 | |
| <I/σ(I)> | 33 | 3.2 |
| Completeness [%] | 97.9 | 98.8 |
| Redundancy | 13 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 100 MM HEPES, PH 8 AND 0.9-1.1M AMSO4 |
