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 |