6IRJ

Crystal structure of lysozyme by fixed-target serial femtosecond crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	PAL-XFEL BEAMLINE CSI
Synchrotron site	PAL-XFEL
Beamline	CSI
Temperature [K]	296
Detector technology	CCD
Collection date	2018-10-29
Detector	RAYONIX MX225-HS
Wavelength(s)	1.2782
Spacegroup name	P 43 21 2
Unit cell lengths	78.220, 78.220, 37.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.310 - 1.650
R-factor	0.2069
Rwork	0.205
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ig6
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	1.710
High resolution limit [Å]	1.650	1.650
Number of reflections	29127	2861
<I/σ(I)>	6.61	1.36
Completeness [%]	100.0	100
Redundancy	4660.8	962.2
CC(1/2)	0.985	0.370

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SMALL TUBES	4.5	293.5	sodium acetate, PEG 8000, NaCl