Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.977410 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 55.863, 52.060, 148.309 |
Unit cell angles | 90.00, 93.11, 90.00 |
Refinement procedure
Resolution | 49.160 - 2.100 |
R-factor | 0.2098 |
Rwork | 0.208 |
R-free | 0.24200 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5ko9 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.563 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.110 | 49.110 | 2.160 |
High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
Rmerge | 0.064 | 0.033 | 0.812 |
Rmeas | 0.069 | 0.036 | 0.882 |
Rpim | 0.027 | 0.014 | 0.341 |
Total number of observations | 165977 | 2186 | 13611 |
Number of reflections | 25066 | 360 | 2067 |
<I/σ(I)> | 15 | 45.7 | 2.2 |
Completeness [%] | 99.9 | 98.9 | 99.9 |
Redundancy | 6.6 | 6.1 | 6.6 |
CC(1/2) | 0.999 | 0.998 | 0.926 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 20% PEG3350, 0.1 M potassium chloride, 0.1 M Bis-Tris, 0.05 M magnesium chloride |