8I1Z
E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.790, 80.150, 78.700 |
Unit cell angles | 90.00, 105.77, 90.00 |
Refinement procedure
Resolution | 50.010 - 1.800 |
R-factor | 0.19669 |
Rwork | 0.195 |
R-free | 0.22855 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5v0i |
RMSD bond length | 0.007 |
RMSD bond angle | 1.159 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.010 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.053 | 0.374 |
Rmeas | 0.064 | 0.485 |
Rpim | 0.035 | 0.306 |
Total number of observations | 204490 | 9006 |
Number of reflections | 67909 | 4029 |
<I/σ(I)> | 11.6 | 2.2 |
Completeness [%] | 99.2 | |
Redundancy | 3 | 2.2 |
CC(1/2) | 0.997 | 0.880 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.16M Ammonium sulfate, 0.1M HEPES pH 7.5, 25% PEG 3350 |