8AY7
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-iSB7-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 | 2019-11-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979260 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.821, 62.724, 186.948 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.210 - 2.131 |
R-factor | 0.1938 |
Rwork | 0.191 |
R-free | 0.24730 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5mn0 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.944 |
Data reduction software | XDS (2019) |
Data scaling software | XDS (2019) |
Phasing software | PHENIX (1.19.2-4158) |
Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.210 | 2.207 |
High resolution limit [Å] | 2.131 | 2.131 |
Rmerge | 0.114 | 1.306 |
Rmeas | 0.126 | 1.443 |
Number of reflections | 28817 | 2638 |
<I/σ(I)> | 7.37 | 0.92 |
Completeness [%] | 98.9 | 92.98 |
Redundancy | 5.9 | 5.6 |
CC(1/2) | 0.995 | 0.695 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 291 | 30% PEG3350 0.5M CaCl2 Drop 1:1 |