Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00002 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.989, 95.733, 68.579 |
Unit cell angles | 90.00, 91.98, 90.00 |
Refinement procedure
Resolution | 47.870 - 1.950 |
R-factor | 0.2112 |
Rwork | 0.210 |
R-free | 0.24190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qnj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.057 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER (v7.1.015) |
Refinement software | REFMAC (v7.1.015) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.870 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.079 | 0.543 |
Number of reflections | 47368 | 4760 |
<I/σ(I)> | 11.8 | 2.47 |
Completeness [%] | 98.7 | 99.44 |
Redundancy | 3.5 | 3.6 |
CC(1/2) | 0.996 | 0.782 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M sodium formate pH 7.0 24% PEG3350 |