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 |
