4O2D
Crystal structure of aspartyl-tRNA synthetase from Mycobacterium smegmatis with bound aspartic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-07 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.400, 135.170, 157.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.720 - 2.600 |
| R-factor | 0.19785 |
| Rwork | 0.195 |
| R-free | 0.24361 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eqr |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.594 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.720 | 2.670 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 51363 | |
| <I/σ(I)> | 23.9 | 4.5 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 5.8 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 289 | 20% PEG 3350, 0.2M Na Citrate, pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
