Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 78 |
Detector technology | PIXEL |
Collection date | 2021-06-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 100.665, 126.842, 144.993 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.550 - 1.590 |
R-factor | 0.1689 |
Rwork | 0.168 |
R-free | 0.19260 |
Structure solution method | SAD |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.730 | 1.680 |
High resolution limit [Å] | 1.586 | 1.590 |
Number of reflections | 249003 | 39127 |
<I/σ(I)> | 15.1 | |
Completeness [%] | 99.6 | |
Redundancy | 13 | |
CC(1/2) | 0.999 | 0.770 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION, RECRYSTALLIZATION | 6 | 277 | 0.2M Ammonium sulfate, 20% w/v polyethylene glycol 3350 |