Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2021-06-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | I 4 3 2 |
Unit cell lengths | 196.824, 196.824, 196.824 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.410 - 2.500 |
Rwork | 0.297 |
R-free | 0.31090 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.410 | 2.589 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 22650 | 2228 |
<I/σ(I)> | 35.6 | |
Completeness [%] | 99.3 | |
Redundancy | 76.1 | |
CC(1/2) | 0.998 | 0.970 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 1.6M sodium citrate, pH6.5 |