6Z7O
Crystal structure of Thioredoxin T from Drosophila melanogaster
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-03 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.872899 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.090, 49.312, 54.283 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.672 - 2.330 |
| R-factor | 0.1947 |
| Rwork | 0.192 |
| R-free | 0.22160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xwa |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.500 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1683) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.080 | 35.080 | 2.390 |
| High resolution limit [Å] | 2.320 | 10.420 | 2.320 |
| Rmerge | 0.219 | 0.062 | 1.244 |
| Rmeas | 0.233 | 0.067 | 1.354 |
| Rpim | 0.079 | 0.024 | 0.521 |
| Total number of observations | 566 | 2303 | |
| Number of reflections | 6247 | 84 | 390 |
| <I/σ(I)> | 7.4 | 15 | 1.9 |
| Completeness [%] | 99.9 | 98.7 | 98.4 |
| Redundancy | 8.1 | 6.7 | 5.9 |
| CC(1/2) | 0.994 | 0.996 | 0.676 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 15.0% w/v PEG 4000, 0.2 M potassium bromide |
