2VAX
Crystal structure of deacetylcephalosporin C acetyltransferase (Cephalosporin C-soak)
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 | 2007-03-09 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 121.357, 109.288, 195.388 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 62.750 - 2.600 |
| R-factor | 0.212 |
| Rwork | 0.211 |
| R-free | 0.24000 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.909 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.090 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.070 | 0.220 |
| Number of reflections | 156738 | |
| <I/σ(I)> | 14.7 | 5.8 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 18-19% PEG 4000, 0.1M IMIDAZOLE, 0.5M NACL, 0.2M SODIUM ACETATE |
