8FWA

Phycocyanin structure from a modular droplet injector for serial femtosecond crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE MFX
Synchrotron site	SLAC LCLS
Beamline	MFX
Temperature [K]	293
Detector technology	PIXEL
Collection date	2021-05-29
Detector	SLAC ePix10k
Wavelength(s)	1.285
Spacegroup name	H 3 2
Unit cell lengths	188.300, 188.300, 61.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.310 - 2.000
R-factor	0.20632
Rwork	0.204
R-free	0.24512
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.143
Data reduction software	CrystFEL (0.10.1)
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.600	2.100
High resolution limit [Å]	2.000	2.000
Number of reflections	54596	5458
<I/σ(I)>	1.8	0.6
Completeness [%]	100.0
Redundancy	28
CC(1/2)	0.717	0.144

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		277	75 mM HEPES pH 7.0, 20 mM MgCl2, 9% PEG 3350