Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-07-05 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.920105 |
Spacegroup name | I 2 3 |
Unit cell lengths | 146.450, 146.450, 146.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.750 - 2.570 |
R-factor | 0.2321 |
Rwork | 0.231 |
R-free | 0.25760 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.918 |
Data reduction software | XDS (BUILT 20230630) |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.519 | 2.612 |
High resolution limit [Å] | 2.567 | 2.567 |
Rmerge | 0.158 | 2.663 |
Rmeas | 0.171 | 2.900 |
Rpim | 0.064 | 1.138 |
Number of reflections | 16867 | 868 |
<I/σ(I)> | 7.7 | 0.7 |
Completeness [%] | 100.0 | |
Redundancy | 6.9 | |
CC(1/2) | 0.996 | 0.401 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 1.0 M sodium citrate, 0.1 M MES, 5 mM TCEP |