Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-12-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97861 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 105.087, 156.675, 183.659 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 91.210 - 2.590 |
R-factor | 0.2292 |
Rwork | 0.226 |
R-free | 0.29610 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond angle | 17.266 |
Data reduction software | xia2 |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 91.830 | 2.630 |
High resolution limit [Å] | 2.590 | 2.590 |
Number of reflections | 94149 | 4673 |
<I/σ(I)> | 7.3 | |
Completeness [%] | 99.2 | |
Redundancy | 13.3 | |
CC(1/2) | 0.993 | 0.486 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 6% PEG, 5% glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCl2, pH 6.7 |