7WQ0
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment and ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-01 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.97914 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.276, 72.716, 118.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.020 - 2.090 |
R-factor | 0.2145 |
Rwork | 0.213 |
R-free | 0.24940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7wpk |
RMSD bond length | 0.002 |
RMSD bond angle | 1.183 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.020 | 2.150 |
High resolution limit [Å] | 2.090 | 2.090 |
Rmerge | 0.153 | 0.508 |
Rmeas | 0.167 | 0.557 |
Rpim | 0.065 | 0.225 |
Number of reflections | 30973 | 2306 |
<I/σ(I)> | 9.4 | |
Completeness [%] | 99.7 | 97 |
Redundancy | 6.5 | 6 |
CC(1/2) | 0.991 | 0.872 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 300 | Sodium cacodylate, PEG 3350 |