5UCX
Structure of S78C Human Peroxiredoxin 3 as three stacked rings
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 133.449, 167.590, 221.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.920 - 2.400 |
| R-factor | 0.1956 |
| Rwork | 0.194 |
| R-free | 0.22790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.357 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.920 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.266 | 1.462 |
| Number of reflections | 96714 | |
| <I/σ(I)> | 6.4 | |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 6.1 | 5.6 |
| CC(1/2) | 0.980 | 0.379 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.7 | 293 | 12.5% PEG1000, 12.5% PEG3350. 12.5% MPD, 0.02 M alcohol additives at pH 8.7 (Fine screen derived from Gorrec, 2009) |
