4CH6
Structure of pyrrolysyl-tRNA synthetase in complex with adenylated propargyloxycarbonyl lysine
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 | 2013-05-08 |
Detector | DECTRIS PILATUS |
Spacegroup name | P 64 |
Unit cell lengths | 104.933, 104.933, 70.964 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.290 - 2.050 |
R-factor | 0.17426 |
Rwork | 0.174 |
R-free | 0.18474 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bwa |
RMSD bond length | 0.011 |
RMSD bond angle | 1.497 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.290 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.030 | 0.590 |
Number of reflections | 28018 | |
<I/σ(I)> | 45.7 | 3.29 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 9.7 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.4 | 0.1 M LIAC, 12% PEG3350, pH 7.4 |