8JZ1
Crystal structure of a single-chain monellin mutant C41V
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 | 2022-07-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.115, 48.685, 47.162 |
Unit cell angles | 90.00, 102.66, 90.00 |
Refinement procedure
Resolution | 46.000 - 1.239 |
R-factor | 0.1677 |
Rwork | 0.166 |
R-free | 0.20000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mol |
RMSD bond length | 0.018 |
RMSD bond angle | 1.636 |
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] | 1.239 | 1.240 |
Number of reflections | 81703 | 6581 |
<I/σ(I)> | 19.04 | |
Completeness [%] | 84.6 | |
Redundancy | 3.4 | |
CC(1/2) | 0.988 | 0.878 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bis-Tris, pH 6.0, 35% (w/v) PEG3350 |