8I1W
The asymmetric structure of homodimeric E. coli TrpRS bound with tryptophanyl adenylate at one of its two active pockets
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 | 61.680, 79.680, 77.650 |
| Unit cell angles | 90.00, 106.04, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.18772 |
| Rwork | 0.186 |
| R-free | 0.22171 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.148 |
| 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 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.061 | 0.483 |
| Rmeas | 0.067 | 0.523 |
| Rpim | 0.027 | 0.199 |
| Total number of observations | 26484 | |
| Number of reflections | 65978 | 3863 |
| <I/σ(I)> | 18.2 | 4.6 |
| Completeness [%] | 98.8 | |
| Redundancy | 6.5 | 6.9 |
| CC(1/2) | 0.998 | 0.971 |
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 |
