2ZNI
Crystal structure of Pyrrolysyl-tRNA synthetase-tRNA(Pyl) complex from Desulfitobacterium hafniense
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 | 2007-10-02 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97942 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 103.627, 103.627, 214.044 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.636 - 3.100 |
R-factor | 0.228 |
Rwork | 0.224 |
R-free | 0.29600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PylS |
RMSD bond length | 0.007 |
RMSD bond angle | 1.325 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 3.100 |
Number of reflections | 21576 |
<I/σ(I)> | 18.3 |
Completeness [%] | 98.3 |
Redundancy | 8.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 90mM MES (pH6.0), 5.4% 2-propanol, 180mM calcium acetate, 2% ethanol, 10mM Tris-Cl (pH8.5), VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | MES | ||
2 | 1 | 1 | 2-propanol | ||
3 | 1 | 1 | calcium acetate | ||
4 | 1 | 1 | ethanol | ||
5 | 1 | 1 | Tris-Cl | ||
6 | 1 | 2 | MES | ||
7 | 1 | 2 | calcium acetate | ||
8 | 1 | 2 | Tris-Cl |