4S0L
Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: I11BIF, Y79V, and F123V mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97945 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 52.096, 78.746, 91.407 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.370 - 2.500 |
| R-factor | 0.17942 |
| Rwork | 0.177 |
| R-free | 0.22330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y2q |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.953 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.084 | 0.584 |
| Number of reflections | 6745 | |
| <I/σ(I)> | 21.3 | 3.8 |
| Completeness [%] | 99.5 | 98.1 |
| Redundancy | 10.8 | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 0.1M sodium citrate, 15% PEG 6000, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
