Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-17 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.6199 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 58.356, 8.780, 44.935 |
Unit cell angles | 90.00, 107.77, 90.00 |
Refinement procedure
Resolution | 14.900 - 1.310 |
R-factor | 0.1722 |
Rwork | 0.167 |
R-free | 0.21240 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.814 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 14.900 | 1.357 |
High resolution limit [Å] | 1.310 | 1.310 |
Number of reflections | 5489 | 457 |
<I/σ(I)> | 23.37 | |
Completeness [%] | 96.1 | |
Redundancy | 6.3 | |
CC(1/2) | 1.000 | 0.993 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SLOW COOLING | 298 | methanol, water |