8I1Y
The structure of E. coli TrpRS 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 | 61.690, 79.970, 78.540 |
| Unit cell angles | 90.00, 105.79, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.780 |
| R-factor | 0.19148 |
| Rwork | 0.190 |
| R-free | 0.22428 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.217 |
| 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] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.050 | 0.646 |
| Rmeas | 0.055 | 0.744 |
| Rpim | 0.022 | 0.361 |
| Total number of observations | 16058 | |
| Number of reflections | 70259 | 3940 |
| <I/σ(I)> | 18.4 | 2.2 |
| Completeness [%] | 99.8 | |
| Redundancy | 6 | 4.1 |
| CC(1/2) | 0.999 | 0.852 |
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 |
