Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 46.448, 71.416, 77.473 |
Unit cell angles | 90.81, 107.19, 94.43 |
Refinement procedure
Resolution | 39.110 - 2.520 |
R-factor | 0.20807 |
Rwork | 0.205 |
R-free | 0.26452 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.940 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.110 | 2.660 |
High resolution limit [Å] | 2.520 | 2.520 |
Rmerge | 0.099 | 0.416 |
Rmeas | 0.135 | 0.567 |
Rpim | 0.092 | 0.383 |
Total number of observations | 8421 | |
Number of reflections | 26716 | 3835 |
<I/σ(I)> | 7.3 | 2.2 |
Completeness [%] | 83.5 | |
Redundancy | 2.2 | 2.2 |
CC(1/2) | 0.986 | 0.708 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 10% PEG 4K, 10% 2-propanol, 0.1 M HEPES (pH 7.0) |