Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.570, 105.224, 186.423 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.630 - 3.000 |
R-factor | 0.2274 |
Rwork | 0.225 |
R-free | 0.27000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.475 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.510 | 3.160 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.116 | 1.431 |
Rmeas | 0.126 | 1.557 |
Rpim | 0.049 | 0.608 |
Total number of observations | 130663 | 18106 |
Number of reflections | 19983 | 2818 |
<I/σ(I)> | 10.1 | 1.2 |
Completeness [%] | 99.8 | |
Redundancy | 6.5 | 6.4 |
CC(1/2) | 0.997 | 0.875 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 294 | 0.5M ammonium sulfate, 0.088M sodium citrate, 0.875M lithium sulfate, 2.4% glycerol, 2.5% ethylene glycol, 50mM HEPES pH 6.8 |