9VM0
Crystal structure of computational designed protein CSD101
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-03-13 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.765, 44.745, 61.934 |
| Unit cell angles | 105.20, 103.11, 102.19 |
Refinement procedure
| Resolution | 41.350 - 1.900 |
| R-factor | 0.2055 |
| Rwork | 0.203 |
| R-free | 0.24540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.819 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.350 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.040 | 1.059 |
| Rmeas | 0.050 | 1.237 |
| Rpim | 0.030 | 0.635 |
| Number of reflections | 29683 | 2154 |
| <I/σ(I)> | 11.5 | 1 |
| Completeness [%] | 97.7 | 96 |
| Redundancy | 3.6 | 3.7 |
| CC(1/2) | 0.997 | 0.625 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 10% PEG200, 0.1 M BIS-TRIS propane at pH 9.0, 18% w/v polyethylene glycol 8,000 |
