1WQ3
Escherichia coli tyrosyl-tRNA synthetase mutant complexed with 3-iodo-L-tyrosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-02-01 |
Detector | MARRESEARCH |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 82.911, 82.911, 93.442 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.460 - 2.000 |
R-factor | 0.168 |
Rwork | 0.168 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | MODEL OF WILD-TYPE E. COLI TYRRS |
RMSD bond length | 0.020 |
RMSD bond angle | 1.800 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.036 | 0.154 |
Number of reflections | 25329 | |
<I/σ(I)> | 34.1 | 5.4 |
Completeness [%] | 98.4 | 98 |
Redundancy | 8.2 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | ammonium sulfate, PEG 400, sodium chloride, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 277K |