8T5N
Crystal Structure of Glycine--tRNA ligase from Mycobacterium tuberculosis (AMP-Mg bound)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 19-ID |
Synchrotron site | NSLS-II |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-20 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 126.355, 126.355, 129.027 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.030 - 1.650 |
R-factor | 0.1565 |
Rwork | 0.156 |
R-free | 0.17060 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.976 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.21rc1_4933: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.140 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.123 | 2.489 |
Rmeas | 0.125 | 2.524 |
Rpim | 0.021 | 0.417 |
Total number of observations | 2570575 | 128822 |
Number of reflections | 73239 | 3553 |
<I/σ(I)> | 19.4 | 2 |
Completeness [%] | 100.0 | |
Redundancy | 35.1 | 36.3 |
CC(1/2) | 1.000 | 0.886 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | Morpheus A2: 20%(v/v) Ethylene glycol, 10%(w/v) PEG 8000, 100 mM Imidazole/MES, pH 6.5, 30 mM MgCl2 and 30 mM CaCl2. MytuD.19107.a.UW1.PS38711 at 24.9 mg/mL. 10 mM MgCl2, 1 mM ATP added prior to crystallization. ATP hydrolyzed to AMP. plate 13247 well A2 drop 1. Puck: PSL-0301, Cryo: direct |