1SZO
Crystal Structure Analysis of the 6-Oxo Camphor Hydrolase His122Ala Mutant Bound to Its Natural Product (2S,4S)-alpha-Campholinic 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 | 2003-11-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.280, 132.008, 135.424 |
| Unit cell angles | 90.00, 94.11, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.164 |
| Rwork | 0.164 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o8u |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.663 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.960 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.282 |
| Number of reflections | 229538 | |
| <I/σ(I)> | 29.2 | 4.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 290 | PEG MME 2000, calcium acetate, MES, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
