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 |
