7B9J
Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Urea 1:2
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 | 2019-10-16 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 80.050, 80.050, 36.769 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.604 - 2.200 |
R-factor | 0.1804 |
Rwork | 0.178 |
R-free | 0.22470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n9r |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | Sir2014 |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.604 | 2.263 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.141 | 0.578 |
Rmeas | 0.145 | 0.590 |
Rpim | 0.029 | 0.116 |
Number of reflections | 6448 | 496 |
<I/σ(I)> | 14.2 | 5.8 |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 24.9 | 26.2 |
CC(1/2) | 0.999 | 0.983 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | sodium chloride, sodium acetate, DES: Choline chloride/Urea |