4RQX
Crystal structure of human peroxiredoxin 4(THIOREDOXIN PEROXIDASE) with MESNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-21 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 108.004, 139.684, 96.191 |
| Unit cell angles | 90.00, 103.17, 90.00 |
Refinement procedure
| Resolution | 33.060 - 2.256 |
| R-factor | 0.2102 |
| Rwork | 0.208 |
| R-free | 0.24951 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pn8 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.378 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.350 |
| High resolution limit [Å] | 2.256 | 2.256 |
| Rmerge | 0.075 | 0.497 |
| Number of reflections | 62860 | |
| <I/σ(I)> | 13 | 1.8 |
| Completeness [%] | 97.8 | 92.1 |
| Redundancy | 3.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.6M ammonium sulfate, 0.1 M MES, 10% dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
