Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-14 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.979514 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.063, 273.373, 170.341 |
Unit cell angles | 90.00, 92.14, 90.00 |
Refinement procedure
Resolution | 48.213 - 3.200 |
Rwork | 0.229 |
R-free | 0.30270 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.737 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.213 | 3.280 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.230 | 0.947 |
Number of reflections | 50864 | 4397 |
<I/σ(I)> | 5.9 | |
Completeness [%] | 99.4 | |
Redundancy | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M sodium malonate pH6.75, 18% PEG 3350 |