2XPE
Oxidised 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 21 21 21 |
| Unit cell lengths | 56.371, 63.444, 91.394 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.118 - 2.500 |
| R-factor | 0.301 |
| Rwork | 0.299 |
| R-free | 0.33580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qxh |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.920 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.270 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.140 | 0.470 |
| Number of reflections | 11830 | |
| <I/σ(I)> | 8.6 | 4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 13.54 | 14.25 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2 M TRI-POTASSIUM CITRATE, 20% PEG 3350, PH 7.5 |
