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