Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-12 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.18053 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 167.787, 44.071, 86.592 |
Unit cell angles | 90.00, 111.07, 90.00 |
Refinement procedure
Resolution | 40.400 - 2.040 |
R-factor | 0.1353 |
Rwork | 0.133 |
R-free | 0.17190 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.606 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.420 | 2.117 |
High resolution limit [Å] | 2.040 | 2.044 |
Rmerge | 0.033 | 0.084 |
Number of reflections | 37834 | 3714 |
<I/σ(I)> | 43.41 | |
Completeness [%] | 99.7 | |
Redundancy | 6.6 | |
CC(1/2) | 1.000 | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 295 | 20% PEG 3350, 0.2 M MgCl2, 1 X PBS, 20% Glycerol |