5HR3
Crystal structure of thioredoxin N106A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-03-14 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9202 |
| Spacegroup name | P 1 |
| Unit cell lengths | 29.238, 33.124, 47.185 |
| Unit cell angles | 75.75, 88.85, 68.83 |
Refinement procedure
| Resolution | 16.227 - 1.101 |
| R-factor | 0.143 |
| Rwork | 0.142 |
| R-free | 0.16340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1keb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.203 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_2247) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 16.227 | 50.000 | 1.140 |
| High resolution limit [Å] | 1.100 | 2.370 | 1.100 |
| Rmerge | 0.036 | 0.022 | 0.242 |
| Total number of observations | 117251 | ||
| Number of reflections | 59930 | ||
| <I/σ(I)> | 14.8 | ||
| Completeness [%] | 93.0 | 90.6 | 89.2 |
| Redundancy | 2 | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | The drop was a 1:1 mix of protein (10 mg/ml, in water) and reservoir solution (100 mM sodium acetate, 4 mM CuSO4, 25 % ethanol, pH 4.25) |
