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 | 2020-03-08 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 95.728, 38.562, 183.557 |
Unit cell angles | 90.00, 104.66, 90.00 |
Refinement procedure
Resolution | 74.150 - 1.900 |
R-factor | 0.2265 |
Rwork | 0.224 |
R-free | 0.26880 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.992 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 88.790 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 102879 | 4432 |
<I/σ(I)> | 7.5 | |
Completeness [%] | 98.7 | |
Redundancy | 5.1 | |
CC(1/2) | 0.996 | 0.599 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 25% PEG3350, 25mM Sodium Phosphate pH 7.0, Streak Seeding |