4C3C
Thaumatin refined against hatrx data for time-point 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-04-27 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.876, 57.876, 150.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.890 - 1.800 |
R-factor | 0.17536 |
Rwork | 0.174 |
R-free | 0.19955 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2blr |
RMSD bond length | 0.021 |
RMSD bond angle | 1.949 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.800 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.110 | 0.160 |
Number of reflections | 21755 | |
<I/σ(I)> | 15.6 | 11.2 |
Completeness [%] | 96.4 | 85 |
Redundancy | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.05 M ADA PH 6.8, 0.6 M NA/K TARTRATE, 20% GLYCEROL. |