4HPW
Crystal structure of Tyrosine-tRNA ligase mutant complexed with unnatural amino acid 3-o-methyl-Tyrosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2010-07-13 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 2 1 |
Unit cell lengths | 52.629, 38.830, 82.957 |
Unit cell angles | 90.00, 90.75, 90.00 |
Refinement procedure
Resolution | 26.312 - 1.998 |
R-factor | 0.1999 |
Rwork | 0.197 |
R-free | 0.25060 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.082 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.087 | 0.200 |
Number of reflections | 22662 | |
<I/σ(I)> | 13.3 | 8.2 |
Completeness [%] | 98.0 | 100 |
Redundancy | 7 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 289 | protein sample (40mg/ml) in 25mM Tris-Cl PH8.0, 50mM NaCl mixed with equal volume of reservior solution containing 20-22% PEG3350, 0.2M (NH4)2SO4, 0.1M sodium citrate PH6.1-6.2, grow for 5 days, VAPOR DIFFUSION, SITTING DROP, temperature 289K |