4MBT
Structure of haze forming proteins in white wines: Vitis vinifera thaumatin-like proteins
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-22 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.97946 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 122.560, 52.600, 91.610 |
Unit cell angles | 90.00, 130.02, 90.00 |
Refinement procedure
Resolution | 8.920 - 1.650 |
R-factor | 0.22525 |
Rwork | 0.224 |
R-free | 0.25687 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l5h |
RMSD bond length | 0.027 |
RMSD bond angle | 2.284 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 23.460 | 23.460 | 1.690 |
High resolution limit [Å] | 1.600 | 5.060 | 1.600 |
Rmerge | 0.060 | 0.411 | |
Number of reflections | 53130 | ||
<I/σ(I)> | 8 | 1.8 | |
Completeness [%] | 90.2 | 81.2 | 94.3 |
Redundancy | 2.8 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.58 M Mg acetate, 0.2 M MES, VAPOR DIFFUSION, SITTING DROP, temperature 293K |