9QTL

SFX crystal structure of hen egg-white lysozyme (HEWL) using a guanosine derivative hydrogel as crystal matrix

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL2
Synchrotron site	SACLA
Beamline	BL2
Temperature [K]	293.15
Detector technology	CCD
Collection date	2022-11-01
Detector	MPCCD
Wavelength(s)	1.5498
Spacegroup name	P 43 21 2
Unit cell lengths	78.800, 78.800, 38.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.860 - 1.750
R-factor	0.1976
Rwork	0.196
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.974
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.900	1.790
High resolution limit [Å]	1.750	1.750
Number of reflections	13213	860
<I/σ(I)>	0.113	1.02
Completeness [%]	100.0	100
Redundancy	792.3	117.2
CC(1/2)	0.991	0.576

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.6	293.15	0,5 M Na-Acetate, 18 % w/v NaCl, 6 % w/v PEG 6K, pH 4.6