4CH3
Structure of pyrrolysyl-tRNA synthetase in complex with adenylated butyryl 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 | 2013-07-18 |
Detector | DECTRIS PILATUS |
Spacegroup name | P 64 |
Unit cell lengths | 105.257, 105.257, 71.382 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.440 - 2.280 |
R-factor | 0.17733 |
Rwork | 0.176 |
R-free | 0.19666 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bwa |
RMSD bond length | 0.010 |
RMSD bond angle | 1.378 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.440 | 2.360 |
High resolution limit [Å] | 2.280 | 2.280 |
Rmerge | 0.040 | 0.450 |
Number of reflections | 20634 | |
<I/σ(I)> | 24.69 | 3.86 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.4 | 0.1 M LIAC, 12% PEG3350, pH 7.4 |