7K9M
Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and 5'-O-(N-phenylalanyl)sulfamoyl-adenosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-17 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 128.432, 110.753, 147.897 |
Unit cell angles | 90.00, 103.59, 90.00 |
Refinement procedure
Resolution | 47.920 - 2.500 |
R-factor | 0.181 |
Rwork | 0.179 |
R-free | 0.21460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ka0 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.171 | 0.044 | 0.832 |
Rmeas | 0.186 | 0.048 | 0.959 |
Rpim | 0.073 | 0.018 | 0.465 |
Total number of observations | 427793 | ||
Number of reflections | 68621 | 3545 | 3274 |
<I/σ(I)> | 5.5 | ||
Completeness [%] | 99.0 | 99.2 | 96.2 |
Redundancy | 6.2 | 6.8 | 3.9 |
CC(1/2) | 0.998 | 0.522 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M potassium sodium tartrate, 20% PEG3350 |