8HVE
Crystal structure of Thaumatin (1 s)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 11C |
Synchrotron site | PAL/PLS |
Beamline | 11C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-22 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9794 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.898, 57.898, 150.952 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.060 - 1.130 |
R-factor | 0.1838 |
Rwork | 0.184 |
R-free | 0.19240 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.998 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.060 | 1.170 |
High resolution limit [Å] | 1.130 | 1.130 |
Number of reflections | 183549 | 9523 |
<I/σ(I)> | 9.24 | |
Completeness [%] | 100.0 | |
Redundancy | 23.7 | |
CC(1/2) | 0.998 | 0.406 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.5 | tartrate acid |