6RSJ

Cytochrome c co-crystallized with 20 eq. sulfonato-calix[8]arene and soaked with 25 eq. spermine - structure I

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	2018-09-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98008
Spacegroup name	P 43 21 2
Unit cell lengths	101.452, 101.452, 85.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.990 - 2.270
R-factor	0.194
Rwork	0.193
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gd9
RMSD bond length	0.010
RMSD bond angle	1.160
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]	71.737	2.307
High resolution limit [Å]	2.268	2.268
Rmerge	0.094	1.801
Rpim	0.019	0.346
Number of reflections	21272	1050
<I/σ(I)>	25.7
Completeness [%]	100.0
Redundancy	26.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.10 M HEPES pH 7.5, 0.15 M NaCl, 2.2 M Ammonium sulfate, 0.04 M sulfonato-calix[8]arene