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 |
