5Z1P
Structural basis of the improved sweetness and stability of the single-chain sweet-tasting protein monellin (MNEI)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-01 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 1 |
Unit cell lengths | 35.603, 46.126, 70.176 |
Unit cell angles | 71.22, 79.00, 67.32 |
Refinement procedure
Resolution | 40.930 - 1.890 |
R-factor | 0.21808 |
Rwork | 0.216 |
R-free | 0.26577 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1iv7 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.711 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.134 | 0.418 |
Rpim | 0.081 | 0.252 |
Number of reflections | 29868 | 1400 |
<I/σ(I)> | 12.75 | |
Completeness [%] | 96.8 | 90.8 |
Redundancy | 3.3 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 297 | 20% PEG3350, 0.2M Sodium Aceteta, 0.1M Tris PH 8.5 |