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 | 2021-06-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97933 |
Spacegroup name | P 1 |
Unit cell lengths | 50.344, 65.599, 79.686 |
Unit cell angles | 74.50, 76.82, 72.23 |
Refinement procedure
Resolution | 33.930 - 2.150 |
R-factor | 0.1814 |
Rwork | 0.179 |
R-free | 0.21980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8e0p |
Data reduction software | xia2 |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.902 | 2.370 |
High resolution limit [Å] | 2.144 | 2.144 |
Rmerge | 0.087 | 0.367 |
Rpim | 0.052 | 0.231 |
Number of reflections | 34100 | 1705 |
<I/σ(I)> | 11.2 | 1 |
Completeness [%] | 91.2 | 59.3 |
Redundancy | 3.7 | 3.5 |
CC(1/2) | 0.992 | 0.886 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.8 | 293 | 0.1 M magnesium acetate, 0.1 M sodium citrate, pH 5.8, 14% PEG5000 MME |