3N9T
Cryatal structure of Hydroxyquinol 1,2-dioxygenase from Pseudomonas putida DLL-E4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-29 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.94722 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.362, 38.933, 82.476 |
| Unit cell angles | 90.00, 118.35, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.18678 |
| Rwork | 0.184 |
| R-free | 0.24384 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tmx |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.910 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.580 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.052 | 0.244 |
| Number of reflections | 20567 | |
| <I/σ(I)> | 11.9 | |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | Hepes, trisodium citrate, pH 7.5, vapor diffusion, SITTING DROP, temperature 293K |
