3DQY
Crystal structure of Toluene 2,3-Dioxygenase Ferredoxin
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 | 2004-04-24 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9340 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.544, 52.090, 30.948 |
| Unit cell angles | 90.00, 113.67, 90.00 |
Refinement procedure
| Resolution | 28.398 - 1.200 |
| R-factor | 0.18413 |
| Rwork | 0.183 |
| R-free | 0.19488 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fqt |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.596 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.1.20) |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.344 | 27.970 | 1.260 |
| High resolution limit [Å] | 1.200 | 3.790 | 1.200 |
| Rmerge | 0.080 | 0.065 | 0.328 |
| Total number of observations | 5279 | 11674 | |
| Number of reflections | 27254 | ||
| <I/σ(I)> | 3.7 | 9 | 2.1 |
| Completeness [%] | 98.2 | 96.4 | 96.8 |
| Redundancy | 3.4 | 6.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 286 | 38% (w/v) PEG 8000, 0.1 M MES, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 286K |
