8AY9
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-ABA-HAB1 TERNARY COMPLEX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.763, 62.923, 187.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.280 - 2.281 |
R-factor | 0.2055 |
Rwork | 0.203 |
R-free | 0.25960 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5mn0 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.946 |
Data reduction software | XDS (2018) |
Data scaling software | XDS (2018) |
Phasing software | PHENIX (1.19.2-4158) |
Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.280 | 2.362 |
High resolution limit [Å] | 2.281 | 2.281 |
Rmerge | 0.157 | 0.772 |
Rmeas | 0.168 | 0.820 |
Number of reflections | 23704 | 1983 |
<I/σ(I)> | 7.38 | 1.49 |
Completeness [%] | 95.7 | 83.74 |
Redundancy | 8.6 | 1.49 |
CC(1/2) | 0.993 | 0.913 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6 | 291 | 30%PEG3350 0.5M CaCl2 Drop 1:1 |