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 | 2022-12-23 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97851 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 83.815, 83.815, 163.673 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.630 - 1.870 |
R-factor | 0.18 |
Rwork | 0.179 |
R-free | 0.20420 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.033 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.600 | 1.970 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.100 | 0.954 |
Rmeas | 0.102 | 0.982 |
Rpim | 0.020 | 0.228 |
Total number of observations | 1052358 | 99076 |
Number of reflections | 43669 | 5591 |
<I/σ(I)> | 19.2 | 2.7 |
Completeness [%] | 88.3 | |
Redundancy | 24.1 | 17.7 |
CC(1/2) | 0.999 | 0.934 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 1 M potassium sodium tartrate, 100 mM imidazole, and 200 mM sodium chloride |