1I6K
1.7 HIGH RESOLUTION EXPERIMENTAL PHASES FOR TRYPTOPHANYL-TRNA SYNTHETASE COMPLEXED WITH TRYPTOPHANYL-5'AMP
Experimental procedure
Experimental method | MULTIPLE WAVELENGTHS |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-06-01 |
Detector | BRANDEIS - B4 |
Wavelength(s) | 0.978, 0.979, 0.985 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 59.770, 59.770, 232.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.940 - 1.720 |
R-factor | 0.211 * |
Rwork | 0.233 |
R-free | 0.26800 |
Structure solution method | MULTIPLE ANOMALOUS Dispersion |
RMSD bond length | 0.021 * |
RMSD bond angle | 1.418 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | |
High resolution limit [Å] | 1.720 | |
Rmerge | 0.083 * | 0.354 * |
Total number of observations | 546675 * | |
Number of reflections | 46732 * | |
<I/σ(I)> | 6.1 | |
Completeness [%] | 94.5 | 80.9 * |
Redundancy | 2.43 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICRODIALYSIS | 7.6 | 310 | POTASSIUM PHOSPHATE, AMMONIUM SULFATE, MAGNESIUM CHLORIDE, PEG 400, pH 7.60, MICRODIALYSIS, temperature 310K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | tryptophan | 2 (mM) | |
2 | 1 | 1 | ATP | 10 (mM) | |
3 | 1 | 1 | magnesium | 10 (mM) | |
4 | 1 | 2 | potassium phosphate | 2.0 (M) |