5DBQ
Crystal structure of insect thioredoxin at 1.95 Angstroms
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-02 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.710, 28.980, 79.860 |
| Unit cell angles | 90.00, 128.32, 90.00 |
Refinement procedure
| Resolution | 31.330 - 1.950 |
| R-factor | 0.2119 |
| Rwork | 0.210 |
| R-free | 0.25030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 1XWB |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.120 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MrBUMP |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.127 | 0.735 |
| Number of reflections | 14272 | |
| <I/σ(I)> | 12 | 2 |
| Completeness [%] | 98.4 | 98.2 |
| Redundancy | 5.2 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 27% PEG 4000, 0.2 M sodium acetate, 0.1 M Tris pH 8.5 |
