7QCF
X-ray crystallographic structure of E. coli K-12 glycyl-tRNA synthetase alpha subunit (glyQ)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97750 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 232.407, 232.407, 123.577 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.430 - 3.000 |
| R-factor | 0.2199 |
| Rwork | 0.219 |
| R-free | 0.25790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5f5w |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.306 |
| Data reduction software | XDS (VERSION Feb 5, 2021) |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.430 | 49.380 | 3.070 |
| High resolution limit [Å] | 3.000 | 14.070 | 3.000 |
| Rmerge | 0.291 | 0.045 | 4.183 |
| Rmeas | 0.296 | 0.046 | 4.260 |
| Rpim | 0.057 | 0.010 | 0.803 |
| Total number of observations | 16179 | 125194 | |
| Number of reflections | 68043 | 754 | 4489 |
| <I/σ(I)> | 11.8 | 39 | 1.1 |
| Completeness [%] | 100.0 | 97.7 | 100 |
| Redundancy | 26.9 | 21.5 | 27.9 |
| CC(1/2) | 0.998 | 0.999 | 0.513 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100 mM Morpheus buffer system 1, 0.5-3% w/v PEG 8000 and 20 % w/v ethylene glycol |
