7KJ1
human peroxiredoxin 2 - C172S mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 233.200, 88.300, 125.200 |
| Unit cell angles | 90.00, 99.20, 90.00 |
Refinement procedure
| Resolution | 35.240 - 2.150 |
| R-factor | 0.1971 |
| Rwork | 0.195 |
| R-free | 0.23650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7kiz |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.491 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.240 | 2.210 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmeas | 0.252 | 2.825 |
| Number of reflections | 136298 | 10028 |
| <I/σ(I)> | 7.5 | 0.7 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 5 | 4.7 |
| CC(1/2) | 0.992 | 0.195 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 0.1 M Tris pH 8.5, 25% PEG 3350, 0.2 M magnesium chloride |
