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 | 2019-09-07 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 97.332, 145.878, 169.539 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 110.580 - 2.310 |
Rwork | 0.255 |
R-free | 0.27500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ixo |
RMSD bond length | 0.004 |
RMSD bond angle | 1.250 |
Data reduction software | xia2 |
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] | 110.604 | 110.580 | 2.350 |
High resolution limit [Å] | 2.310 | 12.650 | 2.310 |
Rmerge | 0.319 | 0.070 | 3.518 |
Rmeas | 0.332 | 0.072 | 3.652 |
Rpim | 0.090 | 0.020 | 0.981 |
Number of reflections | 106364 | 771 | 5146 |
<I/σ(I)> | 8.3 | ||
Completeness [%] | 100.0 | ||
Redundancy | 26 | 22.5 | 26.7 |
CC(1/2) | 0.998 | 0.998 | 0.703 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 0.2 M K/Na tartrate 20% w/v PEG 3350 |