5XIL
Crystal Structure of Leishmania major Prolyl-tRNA Synthetase (LmPRS)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.289 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.294, 98.861, 146.327 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.990 - 1.900 |
| R-factor | 0.18237 |
| Rwork | 0.179 |
| R-free | 0.20060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4twa |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.824 |
| Data reduction software | MxCuBE |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.050 | 0.018 | 0.414 |
| Rmeas | 0.055 | 0.020 | 0.450 |
| Rpim | 0.021 | 0.008 | 0.176 |
| Total number of observations | 270270 | ||
| Number of reflections | 43411 | 2155 | |
| <I/σ(I)> | 13.9 | ||
| Completeness [%] | 100.0 | 99.3 | 100 |
| Redundancy | 6.2 | 5.9 | 6.2 |
| CC(1/2) | 0.995 | 0.934 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M Magnesium acetate and 20%(w/v) PEG 3,350 |
