8EN9
TehA native-SAD structure determined at 5 keV with a helium environment
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 | H 3 |
Unit cell lengths | 95.399, 95.399, 136.128 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.530 - 2.600 |
R-factor | 0.1747 |
Rwork | 0.170 |
R-free | 0.21740 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 0.901 |
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] | 39.530 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 28275 | 3438 |
<I/σ(I)> | 24.4 | |
Completeness [%] | 99.8 | |
Redundancy | 109.6 | |
CC(1/2) | 0.995 | 0.482 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 277 | 0.1 M HEPES, 1 mM zinc sulfate, 27-29% PEG400, 10 mM spermidine, 50 mM octyl glucoside |