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 | 2020-11-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97628 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.080, 66.140, 107.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.080 - 1.800 |
R-factor | 0.1625 |
Rwork | 0.161 |
R-free | 0.20030 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.141 |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASES |
Refinement software | BUSTER (2.10.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.080 | 1.864 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 40369 | 3515 |
<I/σ(I)> | 31.18 | |
Completeness [%] | 98.4 | |
Redundancy | 12.8 | |
CC(1/2) | 1.000 | 0.976 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M Tris pH 8.25-8.75 0.1 M Magnesium acetate 15-18% PEG 3350 |