4S02
Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: I11BIF, F42W, Y79A, and F123Y mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0332 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 52.715, 77.284, 93.153 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.100 - 1.950 |
| R-factor | 0.1649 |
| Rwork | 0.163 |
| R-free | 0.19595 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y2q |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.797 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.107 | 0.415 |
| Number of reflections | 14118 | |
| <I/σ(I)> | 16.6 | 8.1 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 11 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 0.1 M sodium citrate, 15% PEG 6000, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
