Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.18057 |
Spacegroup name | I 4 |
Unit cell lengths | 89.749, 89.749, 85.963 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.590 - 1.600 |
R-factor | 0.1668 |
Rwork | 0.166 |
R-free | 0.19040 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.887 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2-3874_final) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.870 | 1.210 |
High resolution limit [Å] | 1.190 | 1.190 |
Rmerge | 0.054 | 4.115 |
Rmeas | 0.059 | 5.722 |
Rpim | 0.023 | 3.963 |
Total number of observations | 573257 | |
Number of reflections | 95597 | 2306 |
<I/σ(I)> | 13.4 | |
Completeness [%] | 86.9 | |
Redundancy | 6 | 1.4 |
CC(1/2) | 1.000 | 0.010 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Tris pH 8.5, 0.2 M sodium citrate, & 30% PEG400 |