9V3D

SFX structure of 3-5 micrometers Lysozyme microcrystals

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL2
Synchrotron site	SACLA
Beamline	BL2
Temperature [K]	293
Detector technology	CCD
Collection date	2023-04-21
Detector	MPCCD
Wavelength(s)	1.24
Spacegroup name	P 43 21 2
Unit cell lengths	79.450, 79.450, 38.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.730 - 1.680
R-factor	0.1945
Rwork	0.193
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.958
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.730	1.700
High resolution limit [Å]	1.680	1.680
Number of reflections	14477	697
<I/σ(I)>	7.46
Completeness [%]	100.0
Redundancy	202.5	23.7
CC(1/2)	0.970	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	3	290	8% PEG 6000, 4.8 M NaCl, and 0.1M sodium acetate