9ZIP
Crystal Structure of RASProtease(II), a Designed RAS-specific Subtilisin, in Complex with the Cognate Peptide QEEYSAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.978, 57.909, 82.488 |
| Unit cell angles | 90.00, 98.06, 90.00 |
Refinement procedure
| Resolution | 47.240 - 1.240 |
| R-factor | 0.1141 |
| Rwork | 0.113 |
| R-free | 0.13970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.622 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.240 | 1.260 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.071 | 0.297 |
| Rmeas | 0.079 | 0.326 |
| Rpim | 0.033 | 0.133 |
| Total number of observations | 646759 | 28696 |
| Number of reflections | 107996 | 4939 |
| <I/σ(I)> | 18 | 4.4 |
| Completeness [%] | 94.0 | |
| Redundancy | 6 | 5.8 |
| CC(1/2) | 0.998 | 0.965 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 50 mM zinc acetate, 10 mM imidazole, 15% PEG 3350 |
