Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2021-07-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9801 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 135.469, 135.469, 35.579 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.382 - 1.700 |
Rwork | 0.195 |
R-free | 0.21420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ol0 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.841 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.382 | 44.340 | 1.730 |
High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
Rmerge | 0.202 | 0.065 | 9.833 |
Rmeas | 0.207 | 0.067 | 10.070 |
Rpim | 0.045 | 0.015 | 2.166 |
Number of reflections | 21730 | 192 | 1117 |
<I/σ(I)> | 16 | ||
Completeness [%] | 100.0 | ||
Redundancy | 39.5 | 28.9 | 40.9 |
CC(1/2) | 0.999 | 0.998 | 0.777 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 0.17 M ammonium sulfate, 25.5% PEG 4000, 15% glycerol |