2WL3
crystal structure of catechol 2,3-dioxygenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 4A |
| Synchrotron site | PAL/PLS |
| Beamline | 4A |
| Temperature [K] | 294 |
| Detector technology | CCD |
| Collection date | 2005-07-30 |
| Detector | ADSC CCD |
| Spacegroup name | P 4 |
| Unit cell lengths | 102.373, 102.373, 142.399 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.240 - 2.200 |
| R-factor | 0.15641 |
| Rwork | 0.155 |
| R-free | 0.17816 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.202 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.100 | 0.330 |
| Number of reflections | 74911 | |
| <I/σ(I)> | 25.4 | 5.58 |
| Completeness [%] | 99.8 | 98.2 |
| Redundancy | 6.8 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 30% PEG 400, 0.1M HEPES PH7.5, 0.2M CALCIUM CHLORIDE |
