6GDA

Cytochrome c in complex with Sulfonato-calix[8]arene, P43212 form soaked with Spermine

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	2017-09-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980
Spacegroup name	P 43 21 2
Unit cell lengths	101.252, 101.252, 85.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.700 - 2.800
R-factor	0.223
Rwork	0.222
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ycc
RMSD bond length	0.005
RMSD bond angle	1.192
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.310	85.310	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge	0.123	0.034	0.666
Rmeas	0.131	0.037	0.710
Rpim	0.045	0.013	0.243
Number of reflections	11454	437	1632
<I/σ(I)>	12.1
Completeness [%]	100.0	100	100
Redundancy	8.2	7.3	8.5
CC(1/2)	0.997	0.999	0.473

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.1 M ammonium sulfate 0.1 M MES pH 6.5