Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-21 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9998671568878699 |
Spacegroup name | P 1 |
Unit cell lengths | 58.620, 75.750, 129.400 |
Unit cell angles | 90.02, 90.04, 90.03 |
Refinement procedure
Resolution | 49.204 - 2.848 |
Rwork | 0.228 |
R-free | 0.26640 |
Structure solution method | MIR |
RMSD bond length | 0.003 |
RMSD bond angle | 1.094 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.230 | 2.920 |
High resolution limit [Å] | 2.848 | 2.848 |
Number of reflections | 51972 | 3918 |
<I/σ(I)> | 5.8 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.6 | |
CC(1/2) | 0.990 | 0.410 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 293 | 10% PEG 20 000, 25% PEG MME 550, 0.1 M MES/imidazole, pH 6.9, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M trisodium citrate, 0.02 M sodium potassium tartrate (racemic), 0.02 M sodium oxamate. |