3DSQ
Structure of Desulfitobacterium hafniense PylSc, a pyrrolysyl tRNA synthetase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Detector technology | CCD |
| Collection date | 2007-12-10 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 130.183, 68.467, 96.288 |
| Unit cell angles | 90.00, 136.36, 90.00 |
Refinement procedure
| Resolution | 36.320 - 2.100 |
| R-factor | 0.235 |
| Rwork | 0.235 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q7h |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.100 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.069 | 0.253 |
| Number of reflections | 34081 | |
| <I/σ(I)> | 6.7 | 3.9 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 1.2 M potassium sodium tartrate, 0.1 M Tris pH 8.5, 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
