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 | 2019-11-23 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 91.210, 98.300, 118.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.428 - 1.700 |
Rwork | 0.182 |
R-free | 0.19670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ows |
RMSD bond length | 0.004 |
RMSD bond angle | 1.216 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.761 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 58597 | 5791 |
<I/σ(I)> | 19.01 | |
Completeness [%] | 99.9 | |
Redundancy | 6.7 | |
CC(1/2) | 0.999 | 0.817 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 100 mM Tris pH=8.5, 200mM Lithium Sulphate, 22% PEG3350 |