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. |
