7E4U
Crystal structure of Peroxiredoxin-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-08-09 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 217.452, 60.606, 205.142 |
| Unit cell angles | 90.00, 94.23, 90.00 |
Refinement procedure
| Resolution | 49.490 - 2.600 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xcs |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.684 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.490 | 2.670 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.250 | |
| Number of reflections | 79576 | 5176 |
| <I/σ(I)> | 3.4 | |
| Completeness [%] | 97.6 | |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 14.4% W/V PEG 8000, 0.08 M Sodium cacodylate, 0.16 M Calcium acetate hydrate |
