Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.626, 82.789, 112.467 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.234 - 1.950 |
Rwork | 0.230 |
R-free | 0.29930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tb5 |
RMSD bond length | 0.002 |
RMSD bond angle | 1.165 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.234 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 24377 | 1768 |
<I/σ(I)> | 16.9 | |
Completeness [%] | 99.8 | |
Redundancy | 6.4 | |
CC(1/2) | 1.000 | 0.772 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291 | 0.1 M Tris pH 8.5, 8% w/v PEG 8000 |