Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 110 |
Detector technology | PIXEL |
Collection date | 2022-09-10 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97853 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 123.685, 140.567, 217.028 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.817 - 2.000 |
R-factor | 0.1809 |
Rwork | 0.179 |
R-free | 0.20650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.099 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: 000)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.690 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 251047 | 11527 |
<I/σ(I)> | 10.6 | |
Completeness [%] | 98.6 | |
Redundancy | 7.3 | |
CC(1/2) | 0.996 | 0.891 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M magnesium chloride hexahydrate, 0.1 M rubidium chloride, 0.1 M PIPES 7.0 and 20 % v/v PEG smear low |