9DRT
Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and fragment DDD00805735
This is a non-PDB format compatible entry.
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 | 2019-11-09 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97937 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 147.773, 65.250, 191.846 |
Unit cell angles | 90.00, 109.74, 90.00 |
Refinement procedure
Resolution | 48.420 - 2.510 |
R-factor | 0.2088 |
Rwork | 0.207 |
R-free | 0.24060 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.426 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.550 |
High resolution limit [Å] | 2.510 | 6.810 | 2.510 |
Rmerge | 0.092 | 0.048 | 1.040 |
Rmeas | 0.100 | 0.052 | 1.127 |
Rpim | 0.038 | 0.020 | 0.429 |
Total number of observations | 775199 | ||
Number of reflections | 117034 | 6091 | 5751 |
<I/σ(I)> | 8.3 | ||
Completeness [%] | 98.4 | 97.8 | 98.3 |
Redundancy | 6.6 | 6.5 | 6.6 |
CC(1/2) | 0.996 | 0.997 | 0.744 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | ammonium acetate HEPES pH 7.5 PEG 3350 |