7K98
Preaminoacylation complex of M. tuberculosis PheRS with cognate precursor tRNA and 5'-O-(N-phenylalanyl)sulfamoyl-adenosine (F-AMS)
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 | 2018-12-09 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 147.423, 65.302, 193.481 |
Unit cell angles | 90.00, 109.29, 90.00 |
Refinement procedure
Resolution | 29.850 - 2.190 |
R-factor | 0.1784 |
Rwork | 0.177 |
R-free | 0.22420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pco |
RMSD bond length | 0.007 |
RMSD bond angle | 0.915 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18rc1_3777) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.240 |
High resolution limit [Å] | 2.190 | 5.960 | 2.200 |
Rmerge | 0.094 | 0.049 | 1.223 |
Rmeas | 0.102 | 0.053 | 1.338 |
Rpim | 0.039 | 0.020 | 0.534 |
Number of reflections | 173141 | 9127 | 8263 |
<I/σ(I)> | 21.5 | 1.56 | |
Completeness [%] | 96.9 | 98.2 | 93.6 |
Redundancy | 6.4 | 6.6 | 6 |
CC(1/2) | 0.998 | 0.596 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 30% PEG400, 0.2 M magnesium chloride, 0.1 M HEPES, pH 7.5, no cryoprotectant |