Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-09 |
Detector | DECTRIS PILATUS3 X 2M |
Wavelength(s) | 0.873128 |
Spacegroup name | P 1 |
Unit cell lengths | 97.665, 126.036, 148.393 |
Unit cell angles | 96.36, 104.81, 84.23 |
Refinement procedure
Resolution | 19.970 - 1.500 |
R-factor | 0.2007 |
Rwork | 0.200 |
R-free | 0.23160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | unpublished |
RMSD bond length | 0.008 |
RMSD bond angle | 1.010 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.634 | 1.635 |
High resolution limit [Å] | 1.499 | 1.499 |
Rmerge | 0.122 | 0.705 |
Rmeas | 0.151 | 0.866 |
Rpim | 0.087 | 0.497 |
Number of reflections | 744804 | 37234 |
<I/σ(I)> | 5.444 | 1.569 |
Completeness [%] | 90.0 | 63.75 |
Redundancy | 2.76 | 2.89 |
CC(1/2) | 0.992 | 0.466 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 0.2 M lithium sulfate 0.1 M Bis-Tris pH 6.5 18 % PEG 3350 |