5K1P
Catalytic domain of polyspecific pyrrolysyl-tRNA synthetase mutant N346A/C348A in complex with AMPPNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-08-23 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.00 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 102.493, 44.358, 64.314 |
Unit cell angles | 90.00, 99.92, 90.00 |
Refinement procedure
Resolution | 43.281 - 1.499 |
R-factor | 0.1668 |
Rwork | 0.165 |
R-free | 0.19600 |
Starting model (for MR) | PDB ID 4CS2 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.100 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | PHENIX ((dev_2341: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.281 | 1.553 |
High resolution limit [Å] | 1.499 | 1.499 |
Rmerge | 0.050 | |
Number of reflections | 44122 | |
<I/σ(I)> | 11.64 | 1.03 |
Completeness [%] | 96.0 | 97 |
Redundancy | 3.3 | 3.2 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 291 | 0.2M MgCl2, 0.1M TrisHCl pH9.5, 20% (w/v) PEG4000 |