2XPD
Reduced Thiol peroxidase (Tpx) from yersinia Pseudotuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-14 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.865, 92.068, 85.605 |
Unit cell angles | 90.00, 91.41, 90.00 |
Refinement procedure
Resolution | 44.668 - 2.000 |
R-factor | 0.225 |
Rwork | 0.222 |
R-free | 0.26830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | MODIFIED PDB ENTRY 3HVV |
RMSD bond length | 0.022 |
RMSD bond angle | 1.855 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.670 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.150 | 0.640 |
Number of reflections | 64433 | |
<I/σ(I)> | 5.3 | 1.7 |
Completeness [%] | 94.9 | 91.5 |
Redundancy | 2.8 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 20% PEG 3 350, 0.2 M SODIUM CITRATE TRIBASIC, pH 7.5 |