3EQQ
Apo Toluene 2,3-Dioxygenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-03-27 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00895 |
| Spacegroup name | P 43 3 2 |
| Unit cell lengths | 235.873, 235.873, 235.873 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.170 - 3.200 |
| R-factor | 0.246 |
| Rwork | 0.245 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.862 |
| 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] | 48.147 | 48.150 | 3.370 |
| High resolution limit [Å] | 3.200 | 10.120 | 3.200 |
| Rmerge | 0.117 | 0.037 | 0.630 |
| Total number of observations | 11765 | 45465 | |
| Number of reflections | 37553 | ||
| <I/σ(I)> | 5.64 | 15.4 | 1.2 |
| Completeness [%] | 100.0 | 98.9 | 100 |
| Redundancy | 9.7 | 8.7 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 286 | 40%(w/v) polyethylene glycol 600, 0.1 M sodium citrate pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 286K |
