8K65

Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase without pump laser irradiation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL3
Synchrotron site	SACLA
Beamline	BL3
Temperature [K]	293
Detector technology	CCD
Collection date	2018-02-18
Detector	MPCCD
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	145.850, 100.320, 96.620
Unit cell angles	90.00, 126.76, 90.00

Refinement procedure

Resolution	37.200 - 2.000
Rwork	0.170
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	REFMAC (v8.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.400	2.100
High resolution limit [Å]	2.000	2.000
Number of reflections	75223	7471
<I/σ(I)>	5.4
Completeness [%]	100.0
Redundancy	233.9
CC(1/2)	0.950	0.466

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.3	293	34-38 % PEG 400 (v/v), 1.4 M NaCl, pH 5.3