7WPX
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 | 60.888, 71.376, 120.815 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.450 - 2.400 |
R-factor | 0.2142 |
Rwork | 0.213 |
R-free | 0.23570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7wpk |
RMSD bond length | 0.007 |
RMSD bond angle | 1.148 |
Data reduction software | autoPROC |
Data scaling software | Aimless (0.5.29) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 120.820 | 120.820 | 2.490 |
High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
Rmerge | 0.113 | 0.054 | 0.613 |
Rmeas | 0.124 | 0.059 | 0.674 |
Rpim | 0.050 | 0.025 | 0.278 |
Total number of observations | 127386 | 2460 | 12369 |
Number of reflections | 21257 | 475 | 2174 |
<I/σ(I)> | 13.1 | 26.8 | 4.6 |
Completeness [%] | 99.9 | 99.1 | 100 |
Redundancy | 6 | 5.2 | 5.7 |
CC(1/2) | 0.997 | 0.997 | 0.845 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 300 | Sodium cacodylate, PEG 3350 |