8AY8
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-iSB9-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) | 0.979257 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.778, 62.699, 187.327 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.830 - 1.780 |
R-factor | 0.1943 |
Rwork | 0.193 |
R-free | 0.22570 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5mn0 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.830 |
Data reduction software | XDS (2019) |
Data scaling software | XDS (2019) |
Phasing software | PHENIX (1.19.2-4158) |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.830 | 1.848 |
High resolution limit [Å] | 1.780 | 1.784 |
Rmerge | 0.080 | 1.420 |
Number of reflections | 91313 | 4445 |
<I/σ(I)> | 12.87 | 1.16 |
Completeness [%] | 99.1 | |
Redundancy | 6.4 | |
CC(1/2) | 0.998 | 0.463 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.5 | 291 | 35% PEG3350 0.5M CaCl2 Drop 1:1 |