6OZ5
Escherichia coli tRNA synthetase in complex with compound 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-17 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.775, 174.508, 252.548 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.230 - 2.500 |
R-factor | 0.2073 |
Rwork | 0.206 |
R-free | 0.24510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pco |
RMSD bond length | 0.002 |
RMSD bond angle | 0.515 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18_3845) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.370 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 95661 | 4659 |
<I/σ(I)> | 10.2 | 1.3 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 10 | |
CC(1/2) | 0.997 | 0.516 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 15% PEG 8,000, 200 mM MgCl2, 100 mM Tris-HCl pH 8.5, 2% 1,6-hexanediol, 3% D-Galactose |