7OPT
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) | 0.98 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 71.615, 71.615, 253.289 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 62.000 - 2.020 |
Rwork | 0.160 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3riv |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASES |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.020 | 2.070 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.080 | 1.400 |
Number of reflections | 50314 | 3670 |
<I/σ(I)> | 19 | |
Completeness [%] | 99.7 | |
Redundancy | 19.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | ammonium sulfate, sodium acetate |