Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 105.599, 158.202, 180.521 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.280 - 2.940 |
R-factor | 0.2002 |
Rwork | 0.198 |
R-free | 0.25930 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.208 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19_4092: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.260 | 3.100 |
High resolution limit [Å] | 2.940 | 2.940 |
Number of reflections | 65245 | 9379 |
<I/σ(I)> | 12.3 | |
Completeness [%] | 100.0 | |
Redundancy | 13.4 | |
CC(1/2) | 0.997 | 0.841 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 6% polyethylene glycol 4000, 8% glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCl2, pH 6.7 |