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 | 2019-06-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.915 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 79.009, 79.009, 137.016 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 61.290 - 1.430 |
Rwork | 0.196 |
R-free | 0.21240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dai |
RMSD bond length | 0.017 |
RMSD bond angle | 2.196 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 68.510 | 68.510 | 1.450 |
High resolution limit [Å] | 1.430 | 7.830 | 1.430 |
Rmerge | 0.066 | 0.028 | 2.845 |
Rmeas | 0.069 | 0.029 | 3.010 |
Rpim | 0.020 | 0.008 | 0.977 |
Number of reflections | 47455 | 383 | 2291 |
<I/σ(I)> | 20.3 | ||
Completeness [%] | 100.0 | ||
Redundancy | 20.7 | 18.2 | 18 |
CC(1/2) | 1.000 | 1.000 | 0.398 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate |