1NJ6
Crystal structure of Prolyl-tRNA Synthetase from Methanothermobacter thermautotrophicus bound to alanine sulfamoyl adenylate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-03-02 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9349 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 143.539, 143.539, 164.178 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 * - 2.850 |
R-factor | 0.223 |
Rwork | 0.223 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Methanocaldococcus janaschii Proline tRNA Synthetase |
RMSD bond length | 0.007 |
RMSD bond angle | 22.500 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.950 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.124 | 0.740 |
Number of reflections | 23693 | |
<I/σ(I)> | 14.4 | 2.4 |
Completeness [%] | 99.7 | 99.6 |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 8.5 * | 12-25 * | Tris, Beta-Mercaptoethanol, MgCl2, NaCl, Alanine sulfamoyl adenylate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5 (mg/ml) | |
2 | 1 | drop | Tris | 20 (mM) | pH8.5 |
3 | 1 | drop | 200 (mM) | ||
4 | 1 | drop | 2-mercaptoethanol | 5 (mM) | |
5 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
6 | 1 | reservoir | PEG4000 | 20-30 (%) | |
7 | 1 | reservoir | 2-mercaptoethanol | 5 (mM) | |
8 | 1 | reservoir | 0.1 (M) | pH4.5 |