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 | 2019-04-27 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.000033 |
Spacegroup name | P 1 |
Unit cell lengths | 77.539, 84.001, 89.061 |
Unit cell angles | 99.18, 113.73, 108.41 |
Refinement procedure
Resolution | 47.080 - 1.830 |
Rwork | 0.204 |
R-free | 0.21640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ixo |
RMSD bond length | 0.003 |
RMSD bond angle | 1.102 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.084 | 47.080 | 1.860 |
High resolution limit [Å] | 1.830 | 10.020 | 1.830 |
Rmerge | 0.042 | 0.013 | 0.590 |
Rmeas | 0.060 | 0.019 | 0.834 |
Rpim | 0.042 | 0.013 | 0.590 |
Number of reflections | 158310 | 966 | 7695 |
<I/σ(I)> | 10.3 | ||
Completeness [%] | 97.4 | ||
Redundancy | 3.5 | 3.5 | 3.6 |
CC(1/2) | 0.999 | 1.000 | 0.721 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 0.2 M ammonium sulfate 0.1 M citric acid pH 4.0 30% w/v PEG 1000 |