Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 97.836, 97.836, 69.292 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.070 - 1.850 |
R-factor | 0.1896 |
Rwork | 0.188 |
R-free | 0.21690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.726 |
Data reduction software | autoPROC (1.0.5) |
Data scaling software | Aimless (0.7.9) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.650 | 1.890 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.120 | 1.314 |
Number of reflections | 33027 | 2006 |
<I/σ(I)> | 15.3 | 2.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 15.4 | 14 |
CC(1/2) | 0.999 | 0.768 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | PEG 4000, ammonium acetate, citrate |