2D04
Crystal structure of neoculin, a sweet protein with taste-modifying activity.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-12-16 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.009, 101.089, 271.572 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.760 |
R-factor | 0.245 |
Rwork | 0.245 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bwu |
RMSD bond length | 0.016 |
RMSD bond angle | 2.700 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER (V. 1.2) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.860 |
High resolution limit [Å] | 2.760 | 2.760 |
Number of reflections | 32626 | |
Completeness [%] | 92.8 | 82.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 277 | PEG1000, sodium cacodylate, calcium chrolide, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K |