8ENA
Thaumatin native-SAD structure determined at 5 keV with a helium environmet
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 2.479 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.642, 57.642, 150.233 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.340 - 2.500 |
R-factor | 0.1879 |
Rwork | 0.185 |
R-free | 0.23360 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.795 |
Data reduction software | DIALS (v1-1545) |
Data scaling software | Aimless (0.5.17) |
Phasing software | PHASER (2.5.7) |
Refinement software | PHENIX (1.18.2-3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.340 | 2.530 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 16225 | 372 |
<I/σ(I)> | 20 | |
Completeness [%] | 97.1 | |
Redundancy | 183.6 | |
CC(1/2) | 0.979 | 0.065 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.7 M sodium tartrate, 100 mM ADA, pH 6.5 |