4S03
Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: I11BIF, Y79I, and F123A 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 | 2014-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97945 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 52.506, 79.098, 91.273 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.580 - 2.050 |
| R-factor | 0.16757 |
| Rwork | 0.166 |
| R-free | 0.19939 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y2q |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.620 |
| 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 | 2.110 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.116 | 0.531 |
| Number of reflections | 12224 | |
| <I/σ(I)> | 9.6 | 2.3 |
| Completeness [%] | 99.6 | 78.7 |
| Redundancy | 5.3 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.75 | 293 | 0.1 M sodium citrate, 15% PEG 6000, pH 4.75, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
