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 |