3ZRD
Oxidised Thiol peroxidase (Tpx) from Yersinia pseudotuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-26 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.180, 62.560, 88.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.090 - 1.740 |
| R-factor | 0.1969 |
| Rwork | 0.195 |
| R-free | 0.23130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xpe |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.080 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.090 | 1.870 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.040 | 0.280 |
| Number of reflections | 28072 | |
| <I/σ(I)> | 17.1 | 2.2 |
| Completeness [%] | 98.8 | 92.5 |
| Redundancy | 3.6 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M TRIPOTASSIUM CITRATE, 20% PEG 3350. |
