Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-01-28 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.967, 72.644, 66.430 |
Unit cell angles | 90.00, 98.02, 90.00 |
Refinement procedure
Resolution | 25.430 - 1.870 |
R-factor | 0.264 |
Rwork | 0.263 |
R-free | 0.28700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.840 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8 (21-NOV-2022)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.780 | 2.020 |
High resolution limit [Å] | 1.870 | 1.870 |
Number of reflections | 19408 | 970 |
<I/σ(I)> | 9.1 | 1.6 |
Completeness [%] | 77.6 | 34.4 |
Redundancy | 3.4 | 3.6 |
CC(1/2) | 0.997 | 0.585 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 295 | 0.1 M Bis-Tris pH 5.5, 0.2 M ammonium acetate, 25% (w/v) PEG 3,350 |