3KCM
The crystal structure of thioredoxin protein from Geobacter metallireducens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-10-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.986, 74.555, 82.410 |
| Unit cell angles | 100.66, 109.05, 99.07 |
Refinement procedure
| Resolution | 75.360 - 2.450 |
| R-factor | 0.21699 |
| Rwork | 0.214 |
| R-free | 0.26974 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hdc |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.847 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.360 | 2.540 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.095 | 0.364 |
| Number of reflections | 36844 | |
| <I/σ(I)> | 7.3 | 7.2 |
| Completeness [%] | 89.1 | 53.3 |
| Redundancy | 1.8 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 0.2 M Ammonium sulfate, 30% Polyethylene glycol 8000, pH 7.5, VAPOR DIFFUSION, SITTING DROP |
