6FJ8
Structure of Thaumatin collected from an in situ crystal collected on ID30B at 12.7 keV.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2016-09-09 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 58.569, 58.569, 151.584 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.630 - 1.500 |
| R-factor | 0.13174 |
| Rwork | 0.130 |
| R-free | 0.16688 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a47 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.565 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0171) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.640 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.107 | 0.931 |
| Rmeas | 0.142 | 1.370 |
| Rpim | 0.071 | 0.712 |
| Number of reflections | 42124 | 2031 |
| <I/σ(I)> | 5.7 | 1 |
| Completeness [%] | 98.2 | 98.4 |
| Redundancy | 3.6 | 3.5 |
| CC(1/2) | 0.990 | 0.390 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M HEPES and 0.7 M potassium/sodium tartrate |
