9ZIQ
Crystal Structure of RASProtease(II), a Designed RAS-specific Subtilisin, in Complex with the Non-cognate Peptide QEEISAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.243, 58.242, 82.598 |
| Unit cell angles | 90.00, 97.73, 90.00 |
Refinement procedure
| Resolution | 40.920 - 1.200 |
| R-factor | 0.1367 |
| Rwork | 0.135 |
| R-free | 0.15960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.373 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.240 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.097 | 0.832 |
| Rmeas | 0.107 | 0.936 |
| Rpim | 0.044 | 0.420 |
| Total number of observations | 704252 | 28489 |
| Number of reflections | 127620 | 6054 |
| <I/σ(I)> | 7.7 | 1.6 |
| Completeness [%] | 98.3 | |
| Redundancy | 5.5 | 4.7 |
| CC(1/2) | 0.996 | 0.731 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 50 mM zinc acetate, 15% PEG 3350 |
