3V17
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 32 2 1 |
Unit cell lengths | 112.093, 112.093, 214.018 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.570 |
R-factor | 0.1802 |
Rwork | 0.178 |
R-free | 0.22530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pvj |
RMSD bond length | 0.003 |
RMSD bond angle | 0.729 |
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 | 2.640 |
High resolution limit [Å] | 2.570 | 2.570 |
Number of reflections | 50975 | |
<I/σ(I)> | 17.17 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.5 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | reservoir solution: 15 % (w/v) PEG 1,000, 40 % (v/v) PEG 400, 0.15 M NaK phosphate, 0.1 M imidazole chloride protein solution: 27 mg/ml protein in 25 mM Tris/HCl (pH 7.7) drop set up: 0.3 l + 0.3 l, VAPOR DIFFUSION, HANGING DROP, temperature 289K |