Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-06-02 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 86.470, 86.470, 351.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.520 - 2.270 |
R-factor | 0.19712 |
Rwork | 0.195 |
R-free | 0.24593 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.405 |
Data reduction software | Aimless |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.520 | 2.329 |
High resolution limit [Å] | 2.270 | 2.270 |
Rmerge | 0.123 | 1.616 |
Number of reflections | 59824 | 4317 |
<I/σ(I)> | 18.5 | 2.4 |
Completeness [%] | 100.0 | 99.91 |
Redundancy | 25.5 | 27.4 |
CC(1/2) | 0.999 | 0.766 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.15 M Ammonium sulfate, 0.1 M TRIS pH 8, 15% w/v PEG 4000 |