7BB1
Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Glutamic acid 2:1
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 | 78.964, 78.964, 37.093 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.918 - 1.300 |
| R-factor | 0.1101 |
| Rwork | 0.108 |
| R-free | 0.14130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4n9r |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | Sir2014 |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.918 | 1.324 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.090 | 0.330 |
| Rmeas | 0.092 | 0.357 |
| Rpim | 0.019 | 0.128 |
| Number of reflections | 29313 | 1464 |
| <I/σ(I)> | 25.9 | 4.9 |
| Completeness [%] | 99.6 | 94.8 |
| Redundancy | 21.5 | 6.8 |
| CC(1/2) | 0.999 | 0.934 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | sodium chloride, sodium acetate, DES: Choline chloride/Glutamic acid |
