4RMF
Biochemical and structural characterization of mycobacterial aspartyl-tRNA synthetase AspS, a promising TB drug target
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-16 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 71.609, 141.514, 156.817 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.040 - 2.400 |
| R-factor | 0.21671 |
| Rwork | 0.215 |
| R-free | 0.24462 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c0a |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.163 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 42.040 |
| High resolution limit [Å] | 2.400 |
| Rmerge | 0.125 |
| Number of reflections | 31382 |
| <I/σ(I)> | 25.1 |
| Completeness [%] | 99.7 |
| Redundancy | 16.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | 30 % (v/v) pentaerythritol ethoxylate, 0.1 M magnesium formate, 0.1 M Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
