3ZRE
Reduced 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 QUANTUM 315r |
| Spacegroup name | P 64 |
| Unit cell lengths | 65.008, 65.008, 86.284 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 56.300 - 2.350 |
| R-factor | 0.23535 |
| Rwork | 0.233 |
| R-free | 0.27337 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xpd |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.995 |
| 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] | 47.150 | 2.480 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.080 | 0.730 |
| Number of reflections | 8685 | |
| <I/σ(I)> | 14.6 | 2.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.2 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1 M SODIUM MALONATE PH 5, 12% PEG 3350. |
