3E0U
Crystal structure of T. cruzi GPX1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 73.846, 46.591, 61.163 |
Unit cell angles | 90.00, 121.54, 90.00 |
Refinement procedure
Resolution | 25.420 - 2.300 |
R-factor | 0.20951 |
Rwork | 0.207 |
R-free | 0.25368 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Homology model based on 2P5R all loops deleted |
RMSD bond length | 0.021 |
RMSD bond angle | 1.933 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.470 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 7515 | |
Completeness [%] | 94.1 | 85.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.9 M ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |