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 | 2019-10-23 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.999990 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 98.735, 146.405, 169.645 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 111.083 - 2.380 |
Rwork | 0.234 |
R-free | 0.24760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ixo |
RMSD bond length | 0.005 |
RMSD bond angle | 1.264 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 169.640 | 169.640 | 2.420 |
High resolution limit [Å] | 2.380 | 13.040 | 2.380 |
Rmerge | 0.341 | 0.070 | 3.662 |
Rmeas | 0.354 | 0.073 | 3.809 |
Rpim | 0.096 | 0.019 | 1.043 |
Number of reflections | 99190 | 714 | 4890 |
<I/σ(I)> | 9.5 | ||
Completeness [%] | 100.0 | ||
Redundancy | 26 | 23.2 | 25.7 |
CC(1/2) | 0.998 | 0.999 | 0.669 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 0.2 M ammonium citrate pH 7.0 20 % w/v PEG 3350 |