7OQR
Crystal structure of Trypanosoma cruzi peroxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-05 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 71.594, 71.594, 254.581 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.280 - 1.760 |
| R-factor | 0.1198 |
| Rwork | 0.118 |
| R-free | 0.15880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7opt |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.956 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.280 | 1.800 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.086 | 0.785 |
| Number of reflections | 76005 | 4170 |
| <I/σ(I)> | 22.5 | |
| Completeness [%] | 99.8 | |
| Redundancy | 20 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 297 | ammonium sulfate, sodium acetate |
