7BAZ

Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Glycerol 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	2019-02-24
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 43 21 2
Unit cell lengths	78.901, 78.901, 37.124
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.791 - 1.300
R-factor	0.1286
Rwork	0.127
R-free	0.16400
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]	55.791	1.323
High resolution limit [Å]	1.300	1.300
Rmerge	0.063	0.549
Rmeas	0.069	0.598
Rpim	0.026	0.234
Number of reflections	29376	1470
<I/σ(I)>	13.5	2.6
Completeness [%]	99.9	100
Redundancy	6.8	6.4
CC(1/2)	0.998	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	sodium chloride, sodium acetate, DES: Choline chloride/Glycerol