6RVO
Multicrystal dataset of thaumatin collected using a multilayer monochromator.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE VMXi |
| Synchrotron site | Diamond |
| Beamline | VMXi |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2019-05-22 |
| Detector | DECTRIS EIGER2 X 4M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 58.563, 58.563, 151.496 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.624 - 1.970 |
| R-factor | 0.1451 |
| Rwork | 0.142 |
| R-free | 0.17620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rqw |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.866 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 58.560 | 58.560 | 2.000 |
| High resolution limit [Å] | 1.970 | 5.350 | 1.970 |
| Rmerge | 0.409 | 0.215 | 2.179 |
| Rmeas | 0.414 | 0.217 | 2.323 |
| Rpim | 0.062 | 0.030 | 0.780 |
| Number of reflections | 19537 | 1133 | 950 |
| <I/σ(I)> | 8.5 | 21.9 | 0.7 |
| Completeness [%] | 100.0 | 99.91 | 99.79 |
| Redundancy | 38.7 | 49.6 | 8.6 |
| CC(1/2) | 0.992 | 0.994 | 0.389 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COUNTER-DIFFUSION | 5.6 | 293 | 0.1 M Sodium citrate pH 5.6 0.75M Na/K Tartrate |
