2WL9
Crystal structure of catechol 2,3-dioxygenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS |
| Synchrotron site | APS |
| Temperature [K] | 294 |
| Collection date | 2005-08-12 |
| Spacegroup name | P 4 |
| Unit cell lengths | 102.562, 102.562, 142.132 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 142.170 - 1.900 |
| R-factor | 0.15184 |
| Rwork | 0.151 |
| R-free | 0.17602 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wl3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.070 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.330 |
| Number of reflections | 114402 | |
| <I/σ(I)> | 23.7 | 3.6 |
| Completeness [%] | 99.2 | 98.9 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 30% PEG 400. 0.1M HEPES PH7.5, 0.2M MAGNESIUM CHLORIDE |
