9HIK
X-ray structure of Perm3, a circularly permuted mutant of the sweet protein MNEI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 39.451, 32.446, 41.484 |
| Unit cell angles | 90.00, 97.58, 90.00 |
Refinement procedure
| Resolution | 30.410 - 1.150 |
| R-factor | 0.1595 |
| Rwork | 0.159 |
| R-free | 0.18740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.728 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.410 | 1.240 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.062 | 0.561 |
| Rmeas | 0.068 | 0.632 |
| Rpim | 0.027 | 0.284 |
| Number of reflections | 34452 | 5551 |
| <I/σ(I)> | 15.22 | 2.17 |
| Completeness [%] | 92.6 | 75.33 |
| Redundancy | 6.1 | |
| CC(1/2) | 0.996 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | Precipitant: 25.5% (w/v) PEG 4000, 15% (v/v) Glycerol Buffer: 0.085 M Sodium citrate (pH 5.6) Salt: 0.17 M Ammonium acetate |
