Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97622 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.574, 75.144, 83.011 |
Unit cell angles | 90.00, 90.20, 90.00 |
Refinement procedure
Resolution | 55.710 - 2.020 |
R-factor | 0.2264 |
Rwork | 0.225 |
R-free | 0.26160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.950 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.680 | 2.070 |
High resolution limit [Å] | 2.020 | 2.020 |
Number of reflections | 56806 | 4183 |
<I/σ(I)> | 4.3 | |
Completeness [%] | 99.8 | |
Redundancy | 3.3 | |
CC(1/2) | 0.973 | 0.273 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20 % PEG3350, pH 5.5 |