Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9794 |
Spacegroup name | P 1 |
Unit cell lengths | 35.871, 47.993, 48.246 |
Unit cell angles | 82.61, 76.37, 85.98 |
Refinement procedure
Resolution | 47.554 - 1.500 |
Rwork | 0.166 |
R-free | 0.19180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5aho |
RMSD bond length | 0.003 |
RMSD bond angle | 1.212 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.554 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 46964 | 1593 |
<I/σ(I)> | 13.4 | |
Completeness [%] | 94.7 | |
Redundancy | 3.6 | |
CC(1/2) | 0.998 | 0.650 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 20% PEG 3350 0.3 M Ammonium Chloride |