8RUS

Hen egg-white lysozyme (HEWL) structure from EuXFEL FXE, multi-hit Droplet-on-Demand (DoD) injection, 9.3 keV photon energy, space group P432121

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	EUROPEAN XFEL BEAMLINE FXE
Synchrotron site	European XFEL
Beamline	FXE
Temperature [K]	298
Detector technology	PIXEL
Collection date	2022-11-02
Detector	STFC Large Pixel Detector
Wavelength(s)	1.333
Spacegroup name	P 43 21 2
Unit cell lengths	79.470, 79.470, 38.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.730 - 1.380
R-factor	0.1535
Rwork	0.148
R-free	0.19980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.948
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.730	1.400
High resolution limit [Å]	1.380	1.380
Number of reflections	12383860	107809
<I/σ(I)>	6.77	0.9
Completeness [%]	100.0	100
Redundancy	479	43
CC(1/2)	0.990	0.010

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	3.5	298	1:2 lysozyme (100 mg mL-1 in 50 mM NaOAc (pH 3.5)) and crystallization solution (0.1 M NaOAc (pH 3.5), 5% PEG6000 (v/v), 3.2 M NaCl) at 298K.