2JB8
Deacetoxycephalosporin C synthase complexed with 5-hydroxy-4-keto valeric acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-03-29 |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 |
| Unit cell lengths | 106.500, 106.500, 71.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.920 - 1.530 |
| R-factor | 0.212 |
| Rwork | 0.210 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rxf |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.399 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.920 | 1.560 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.060 | 0.290 |
| Number of reflections | 42610 | |
| <I/σ(I)> | 14.3 | |
| Completeness [%] | 93.8 | 90.2 |
| Redundancy | 3.6 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7.0 |
