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 |