8JZ0
Crystal structure of a single-chain monellin mutant C41A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 31.695, 39.748, 44.410 |
| Unit cell angles | 106.22, 109.25, 103.35 |
Refinement procedure
| Resolution | 35.660 - 1.229 |
| R-factor | 0.214 |
| Rwork | 0.213 |
| R-free | 0.23990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mol |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.917 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.300 |
| High resolution limit [Å] | 1.229 | 1.230 |
| Number of reflections | 84210 | 5776 |
| <I/σ(I)> | 11.02 | |
| Completeness [%] | 78.5 | |
| Redundancy | 1.785 | |
| CC(1/2) | 0.995 | 0.858 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium citrate, pH 5.0, and 35% (w/v) PEG3350 |
