Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 43 |
Unit cell lengths | 114.618, 114.618, 48.882 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.900 - 2.900 |
R-factor | 0.222 |
Rwork | 0.220 |
R-free | 0.26580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.205 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.900 | 3.090 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.249 | |
Rpim | 0.084 | |
Number of reflections | 14355 | 2300 |
<I/σ(I)> | 9 | |
Completeness [%] | 99.8 | |
Redundancy | 10.2 | |
CC(1/2) | 0.947 | 0.347 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 288 | 0.02M Divalent II, 0.1M buffer system 6, pH 8.5, 30% precipitant mix 7 (Morpheus II screen B9) |