Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-13 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 60.605, 60.605, 502.608 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 83.768 - 2.288 |
Rwork | 0.226 |
R-free | 0.29480 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.374 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.768 | 2.646 |
High resolution limit [Å] | 2.288 | 2.288 |
Rmerge | 0.335 | 2.541 |
Number of reflections | 9387 | 469 |
<I/σ(I)> | 10.3 | 1.8 |
Completeness [%] | 85.8 | |
Redundancy | 35.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.2 M ammonium acetate, 0.1 M citrate pH 5.5, 30 % PEG4000 |