2PHD
Crystal Structure Determination of a Salicylate 1,2-Dioxygenase from Pseudaminobacter salicylatoxidans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-10-28 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.8423 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 133.016, 133.016, 190.748 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.900 |
| R-factor | 0.19656 |
| Rwork | 0.193 |
| R-free | 0.26239 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2d40 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.714 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 109.109 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.154 | 0.470 |
| Number of reflections | 38103 | |
| <I/σ(I)> | 4.3 | 1.6 |
| Completeness [%] | 99.0 | 99.6 |
| Redundancy | 4.8 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | 12% w/v EtOH, 4% w/v PEG400, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
