Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9159 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 112.611, 112.611, 103.646 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.338 - 2.600 |
Rwork | 0.188 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tk8 |
RMSD bond length | 0.014 |
RMSD bond angle | 2.066 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.340 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.094 | 1.010 |
Number of reflections | 10574 | 1275 |
<I/σ(I)> | 22.7 | |
Completeness [%] | 100.0 | |
Redundancy | 26.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | Morpheus screen |