6RSK

Cytochrome c co-crystallized with 20 eq. sulfonato-calix[8]arene and 15 eq. spermine - structure II

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	2019-02-01
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97624
Spacegroup name	P 43 21 2
Unit cell lengths	100.459, 100.459, 89.539
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.840 - 2.310
R-factor	0.185
Rwork	0.183
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gd9
RMSD bond length	0.010
RMSD bond angle	1.150
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]	71.035	2.346
High resolution limit [Å]	2.306	2.306
Rmerge	0.196	1.871
Rpim	0.039	0.358
Number of reflections	20779	1006
<I/σ(I)>	13.4	2.3
Completeness [%]	100.0	100
Redundancy	25.9
CC(1/2)	0.993	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M HEPES pH 7.5, 0.15 M NaCl, 2.2 M Ammonium sulfate, 0.04 M sulfonato-calix[8]arene, 0.03 M spermine