7AP3
Crystal structure of E. coli tyrosyl-tRNA synthetase in complex with TyrS7HMDDA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.968625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.166, 65.124, 90.978 |
| Unit cell angles | 90.00, 101.33, 90.00 |
Refinement procedure
| Resolution | 54.681 - 2.000 |
| R-factor | 0.2048 |
| Rwork | 0.203 |
| R-free | 0.25330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oud |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.844 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.120 | 65.120 | 2.110 |
| High resolution limit [Å] | 1.998 | 6.320 | 2.000 |
| Rmerge | 0.107 | 0.035 | 0.906 |
| Rmeas | 0.126 | 0.041 | 1.067 |
| Rpim | 0.065 | 0.021 | 0.557 |
| Total number of observations | 7391 | 32759 | |
| Number of reflections | 63743 | 2122 | 9266 |
| <I/σ(I)> | 7.4 | 22.4 | 1.4 |
| Completeness [%] | 99.5 | 99.4 | 99.5 |
| Redundancy | 3.6 | 3.5 | 3.5 |
| CC(1/2) | 0.997 | 0.999 | 0.711 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | Holo enzyme crystals were grown in 0.1 M BIS-TRIS pH 6.5, 10-15% PEG 3350, 20 mM glutamate pH 6 (1M stock solution adjusted to pH 5) and 20% (v/v) ethylene glycol. For soaking crystals were transferred to a drop containing mother liquor supplemented with 2 mM inhibitor. |
