5SMJ
Trypanothione reductase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-20 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91264 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.560, 108.921, 111.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.190 - 1.650 |
| R-factor | 0.194 |
| Rwork | 0.193 |
| R-free | 0.21800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6rb5 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.638 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 112.210 | 112.210 | 1.680 |
| High resolution limit [Å] | 1.650 | 4.480 | 1.650 |
| Rmerge | 0.075 | 0.028 | 1.109 |
| Number of reflections | 118791 | ||
| <I/σ(I)> | 15.4 | 71.2 | 0.9 |
| Completeness [%] | 98.5 | 100 | 96 |
| CC(1/2) | 0.990 | 1.000 | 0.250 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | MPD 22%, PEG 3350 14%, imidazole 40 mM pH 8 |
