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 | 2022-08-29 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.930, 71.800, 84.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.440 - 2.000 |
R-factor | 0.20172 |
Rwork | 0.201 |
R-free | 0.22288 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.436 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.440 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.154 | 0.929 |
Number of reflections | 54521 | 4076 |
<I/σ(I)> | 6.2 | 1.9 |
Completeness [%] | 97.4 | 98.8 |
Redundancy | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.1M Tris pH 8.5, 10% w/v PEG3350 and 0.2M Magnesium chloride |