Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-02-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.649, 62.233, 88.549 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.400 - 1.520 |
R-factor | 0.1843 |
Rwork | 0.183 |
R-free | 0.20740 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.845 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.21_5207: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.650 | 1.550 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmeas | 0.057 | 1.025 |
Rpim | 0.021 | 0.374 |
Number of reflections | 40472 | 1970 |
<I/σ(I)> | 21.2 | 2.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.3 | |
CC(1/2) | 1.000 | 0.722 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 400, ammonium sulfate, MES pH 6.5 |