4S0I
Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: 11BIF, 42F, 79S, and 123A 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 | 52.614, 78.915, 91.063 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.560 - 2.360 |
| R-factor | 0.19239 |
| Rwork | 0.190 |
| R-free | 0.23788 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y2q |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.042 |
| 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 | 2.450 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmerge | 0.076 | 0.493 |
| Number of reflections | 8045 | |
| <I/σ(I)> | 15.3 | 3.3 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 5.8 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.75 | 293 | 0.1M sodium citrate, 15% PEG 6000, pH 4.75, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
