Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-01-05 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | P 63 |
Unit cell lengths | 82.415, 82.415, 63.472 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.430 - 2.500 |
Rwork | 0.226 |
R-free | 0.29070 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.744 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.430 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 8584 | 984 |
<I/σ(I)> | 9.2 | |
Completeness [%] | 99.9 | |
Redundancy | 7.2 | |
CC(1/2) | 0.980 | 0.699 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M Ammonium phosphate monobasic, 0.1M Tris (8.3 8.7), 40% MPD |