2XEP
Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-21 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.104, 99.070, 81.636 |
| Unit cell angles | 90.00, 94.17, 90.00 |
Refinement procedure
| Resolution | 81.650 - 1.500 |
| R-factor | 0.201 |
| Rwork | 0.200 |
| R-free | 0.21700 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.235 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.600 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.080 | 0.280 |
| Number of reflections | 151975 | |
| <I/σ(I)> | 10 | |
| Completeness [%] | 98.7 | 96.9 |
| Redundancy | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 13%(W/V) PEG 4000, 0.1M NAAC, 0.1M NACL, 10% GLYCEROL, 0.1M TRIS/HCL PH 8.0 |
