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. |