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 |
