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 |