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 | 2021-11-04 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9201 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.629, 80.755, 66.742 |
Unit cell angles | 90.00, 106.19, 90.00 |
Refinement procedure
Resolution | 47.783 - 2.100 |
Rwork | 0.212 |
R-free | 0.28550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 2.592 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.783 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.091 | 1.405 |
Number of reflections | 36183 | 2947 |
<I/σ(I)> | 7.4 | 0.8 |
Completeness [%] | 98.6 | 98.4 |
Redundancy | 7.5 | 7.7 |
CC(1/2) | 0.996 | 0.657 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% (w/v) PEG 3350, 200 mM Ammonium tartrate dibasic |