6G89
Thaumatin solved by Native SAD from a dataset collected in 0.6 second with JUNGFRAU detector
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-16 |
| Detector | PSI JUNGFRAU 1M |
| Wavelength(s) | 2.0667 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.832, 57.832, 149.927 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.813 - 2.359 |
| R-factor | 0.1729 |
| Rwork | 0.170 |
| R-free | 0.22510 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.920 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXCD |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.813 | 2.500 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmeas | 0.035 | 0.065 |
| Number of reflections | 16463 | 923 |
| <I/σ(I)> | 23.35 | 9.65 |
| Completeness [%] | 82.3 | |
| Redundancy | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 24% Sodium Potassium Tartrate, 100 mM Bis-Tris Propane |
