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 | 2023-05-26 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 85.875, 85.875, 350.085 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.320 - 2.750 |
R-factor | 0.2527 |
Rwork | 0.250 |
R-free | 0.30873 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 1.169 |
Data reduction software | Aimless |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.320 | 2.880 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.189 | 1.687 |
Number of reflections | 35391 | 4582 |
<I/σ(I)> | 15.6 | 2.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 24.9 | 25.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2 M Lithium sulfate, 0.1 M MES pH 6.4, 20% w/v PEG 4000 |