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 | 2020-02-21 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.254716 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 86.817, 88.078, 166.367 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.973 - 2.200 |
Rwork | 0.198 |
R-free | 0.23430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ixo |
RMSD bond length | 0.009 |
RMSD bond angle | 1.452 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.7.4) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.973 | 46.930 | 2.250 |
High resolution limit [Å] | 2.200 | 10.080 | 2.200 |
Rmerge | 0.114 | 0.033 | 1.992 |
Rmeas | 0.124 | 0.036 | 2.202 |
Rpim | 0.047 | 0.013 | 0.930 |
Number of reflections | 65575 | 793 | 4574 |
<I/σ(I)> | 14.5 | ||
Completeness [%] | 100.0 | ||
Redundancy | 12.9 | 12.1 | 10.7 |
CC(1/2) | 0.999 | 1.000 | 0.465 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 0.2 M ammonium sulphate 0.1 M Bis-Tris 25 % w/v PEG 3350 |