8AY6
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-SB-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 | 2018-11-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979257 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.987, 62.909, 186.615 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.230 - 1.840 |
R-factor | 0.17 |
Rwork | 0.168 |
R-free | 0.20010 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5mn0 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.803 |
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] | 44.230 | 1.906 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.053 | 0.655 |
Rmeas | 0.058 | 0.717 |
Number of reflections | 44864 | 4420 |
<I/σ(I)> | 18.89 | 2.55 |
Completeness [%] | 99.7 | 99.53 |
Redundancy | 6.1 | 6.1 |
CC(1/2) | 0.999 | 0.895 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.5 | 291 | 30% PEG3350 0.5M CaCl2 Drop 1:1 |