Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-01-29 |
Detector | DECTRIS EIGER2 S 16M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 90.758, 90.758, 122.778 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 78.600 - 1.380 |
R-factor | 0.11776 |
Rwork | 0.117 |
R-free | 0.13865 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.444 |
Data reduction software | autoPROC (Version 1.1.7) |
Data scaling software | autoPROC (Version 1.1.7) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.600 | 1.403 |
High resolution limit [Å] | 1.380 | 1.380 |
Rmerge | 0.076 | |
Rpim | 0.022 | 0.561 |
Number of reflections | 120423 | 5937 |
<I/σ(I)> | 16.523 | 1.301 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.47 | 12.67 |
CC(1/2) | 0.999 | 0.559 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.10 M NaAc pH4.8, 2.0 M (NH4)2SO4, 30 % (v/v) Glycerol |