Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-03 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 1 |
Spacegroup name | P 32 |
Unit cell lengths | 86.238, 86.238, 217.487 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.920 - 2.130 |
R-factor | 0.221 |
Rwork | 0.220 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.010 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8 (20-APR-2021)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.690 | 2.270 |
High resolution limit [Å] | 2.130 | 2.130 |
Number of reflections | 445721 | 23235 |
<I/σ(I)> | 10.8 | 1.5 |
Completeness [%] | 94.4 | |
Redundancy | 5.3 | |
CC(1/2) | 0.998 | 0.544 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 M magnesium formate, 20% (w/v) PEG 3,350, 0.1 M magnesium chloride tetrathydrate |