3G98
Crystal Structure of the C-Ala domain from Aquifex aeolicus alanyl-tRNA synthetase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-06 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.740, 54.506, 66.256 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.280 - 1.850 |
| R-factor | 0.18598 |
| Rwork | 0.184 |
| R-free | 0.21871 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.984 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.053 | 0.405 |
| Number of reflections | 16087 | |
| <I/σ(I)> | 46.8 | 3.3 |
| Completeness [%] | 98.6 | 86 |
| Redundancy | 11.4 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | 30% PEG6000, 100 mM MES, 1 M LiCl, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K |
