6WQ6
Xanthomonas citri Methionyl-tRNA synthetase in complex with methionine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-24 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.4586 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.146, 83.624, 95.251 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.630 - 1.700 |
| R-factor | 0.1955 |
| Rwork | 0.194 |
| R-free | 0.23050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pfy |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.862 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.7.17) |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.630 | 47.630 | 1.730 |
| High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
| Rmerge | 0.076 | 0.027 | 1.905 |
| Rmeas | 0.079 | 0.028 | 1.988 |
| Rpim | 0.022 | 0.008 | 0.559 |
| Total number of observations | 6206 | 44395 | |
| Number of reflections | 68460 | 547 | 3571 |
| <I/σ(I)> | 19.2 | 62.7 | 1.4 |
| Completeness [%] | 100.0 | 98.9 | 100 |
| Redundancy | 12.7 | 11.3 | 12.4 |
| CC(1/2) | 1.000 | 0.999 | 0.709 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M Tris-HCl, 28 - 32 % PEG 4000, 0.2 M MgCl2 |
