3DSQ
Structure of Desulfitobacterium hafniense PylSc, a pyrrolysyl tRNA synthetase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Detector technology | CCD |
Collection date | 2007-12-10 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 130.183, 68.467, 96.288 |
Unit cell angles | 90.00, 136.36, 90.00 |
Refinement procedure
Resolution | 36.320 - 2.100 |
R-factor | 0.235 |
Rwork | 0.235 |
R-free | 0.28300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q7h |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.100 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.069 | 0.253 |
Number of reflections | 34081 | |
<I/σ(I)> | 6.7 | 3.9 |
Completeness [%] | 99.6 | 100 |
Redundancy | 3.6 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 1.2 M potassium sodium tartrate, 0.1 M Tris pH 8.5, 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |