Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-12-15 |
Detector | MAR CCD 300 mm |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 |
Unit cell lengths | 80.807, 93.855, 153.660 |
Unit cell angles | 89.73, 89.68, 75.79 |
Refinement procedure
Resolution | 45.490 - 2.416 |
R-factor | 0.1878 |
Rwork | 0.186 |
R-free | 0.22630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.900 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.4 (8-JUN-2022)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.460 |
High resolution limit [Å] | 2.416 | 6.560 | 2.420 |
Rmerge | 0.072 | 0.022 | 0.922 |
Rmeas | 0.084 | 0.026 | 1.071 |
Rpim | 0.042 | 0.013 | 0.542 |
Number of reflections | 165005 | 8330 | 8245 |
<I/σ(I)> | 9.3 | ||
Completeness [%] | 98.6 | 99.3 | 97.8 |
Redundancy | 3.9 | 3.8 | 3.8 |
CC(1/2) | 0.991 | 0.997 | 0.607 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 5 uL of protein complex solution and 5 uL of well solution containing 0.1 M MES pH 6.5 and 25% polyethylene glycol 6000. |