6WQI
Xanthomonas citri Methionyl-tRNA synthetase (apo)
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 | 2017-04-07 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.4586 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.017, 95.253, 84.080 |
Unit cell angles | 90.00, 90.52, 90.00 |
Refinement procedure
Resolution | 47.830 - 2.000 |
R-factor | 0.1874 |
Rwork | 0.185 |
R-free | 0.23010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6wq6 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.657 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.830 | 2.040 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.107 | 0.918 |
Rmeas | 0.127 | 1.107 |
Rpim | 0.069 | 0.609 |
Number of reflections | 76238 | 4423 |
<I/σ(I)> | 8.6 | |
Completeness [%] | 97.0 | 95 |
Redundancy | 3.3 | 3.1 |
CC(1/2) | 0.996 | 0.574 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M Tris-HCl, 28 - 32% PEG4000, 0.2 M MgCl2, 0.45 % Polyvinylpyrrolidone K15 |