3GFS
Structure of YhdA, K109D/D137K variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-07-12 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.8148 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.625, 170.132, 93.289 |
| Unit cell angles | 90.00, 92.25, 90.00 |
Refinement procedure
| Resolution | 29.341 - 2.105 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nni |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.580 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.160 |
| High resolution limit [Å] | 2.105 | 2.105 |
| Number of reflections | 119393 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 96.7 | 52.5 |
| Redundancy | 3.6 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | batch crystallization | 8.5 | 298 | 0.1 M Tris pH 8.5, 2.0 M Ammonium Sulfate, batch crystallization, temperature 298K |
