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 | 2018-06-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.916 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 103.695, 103.695, 78.769 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 51.847 - 1.530 |
Rwork | 0.193 |
R-free | 0.20580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1axd |
RMSD bond length | 0.013 |
RMSD bond angle | 1.818 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.000 | 1.600 |
High resolution limit [Å] | 1.530 | 1.530 |
Rmerge | 0.034 | 0.079 |
Rpim | 0.014 | |
Number of reflections | 38156 | 1848 |
<I/σ(I)> | 27.3 | |
Completeness [%] | 100.0 | |
Redundancy | 12.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | sodium citrate pH 5.6, Na/K tartrate 1.5-2.0 M ammonium sulfate |