7D04

Lysozyme structure SS3 from SS mode

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	PAL-XFEL BEAMLINE NCI
Synchrotron site	PAL-XFEL
Beamline	NCI
Temperature [K]	293
Detector technology	CCD
Collection date	2019-11-28
Detector	RAYONIX MX-225
Wavelength(s)	1.2782
Spacegroup name	P 43 21 2
Unit cell lengths	78.895, 78.895, 37.811
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.890 - 1.700
R-factor	0.2147
Rwork	0.213
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vds
RMSD bond length	0.007
RMSD bond angle	1.050
Data reduction software	CrystFEL (V0.9.1)
Data scaling software	CrystFEL (V0.9.1)
Phasing software	PHENIX (V1.18.2_3874)
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.890	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	25173	2532
<I/σ(I)>	3.52	1.56
Completeness [%]	100.0
Redundancy	140.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	100 mM sodium acetate (pH 4.0), 6% (w/v) polyethylene glycol 8,000, and 3.5 M NaCl