1H4Q
Prolyl-tRNA synthetase from Thermus thermophilus complexed with tRNApro(CGG), ATP and prolinol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID2 |
Synchrotron site | ESRF |
Beamline | ID2 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1998-06-15 |
Detector | MARRESEARCH |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 141.290, 141.290, 237.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 3.000 |
R-factor | 0.221 |
Rwork | 0.221 |
R-free | 0.25400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1HC7 (LIGAND FREE PROLYL-TRNA SYNTHETASE) |
RMSD bond length | 0.007 |
RMSD bond angle | 1.392 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS (0.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.080 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.067 | 0.269 |
Total number of observations | 184299 * | |
Number of reflections | 48648 | |
<I/σ(I)> | 2.7 | |
Completeness [%] | 99.6 | 100 |
Redundancy | 3.8 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.9 | SEE REFERENCE 3, pH 7.90 |