6Y0J

Cytochrome c in complex with phosphonato-calix[6]arene and sulfonato-calix[8]arene

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-31
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.98008
Spacegroup name	P 61
Unit cell lengths	67.573, 67.573, 373.866
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.310 - 2.700
R-factor	0.246
Rwork	0.245
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tyi
RMSD bond length	0.009
RMSD bond angle	1.130
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.310	3.050
High resolution limit [Å]	2.700	2.700
Rmerge	0.704
Rpim	0.163	0.592
Number of reflections	16206	810
<I/σ(I)>	5.3
Completeness [%]	100.0
Redundancy	20
CC(1/2)	0.939	0.097

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	10 % PEG 8000, 8 % ethylene glycol, 100 mM HEPES pH 7.5