6FJ9
Structure of Thaumatin collected from an in situ crystal on ID30B at 17.5 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 | 2016-09-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.7085 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 58.570, 58.570, 151.544 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.630 - 1.500 |
| R-factor | 0.1382 |
| Rwork | 0.137 |
| R-free | 0.16678 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a47 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.434 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.630 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.086 | 0.727 |
| Rmeas | 0.111 | 0.979 |
| Rpim | 0.057 | 0.518 |
| Number of reflections | 39794 | 1988 |
| <I/σ(I)> | 7.2 | 1.3 |
| Completeness [%] | 92.6 | 96.7 |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.990 | 0.600 |
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 |
