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