3PVJ
Crystal structure of the Fe(II)/alpha-ketoglutarate dependent taurine dioxygenase from Pseudomonas putida KT2440
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-23 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.249, 105.339, 171.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.572 - 1.850 |
| R-factor | 0.1583 |
| Rwork | 0.157 |
| R-free | 0.19130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1otj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.153 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 116115 | |
| <I/σ(I)> | 15.64 | 2.8 |
| Completeness [%] | 99.4 | 99 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.7 | 289 | pH 7.7, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
