6RSL

Cytochrome c co-crystallized with 10 eq. sulfonato-calix[8]arene and 25 eq. spermine (dry-coating method) - structure III

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)	0.98009
Spacegroup name	P 43 21 2
Unit cell lengths	105.036, 105.036, 86.622
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.383 - 1.988
R-factor	0.2425
Rwork	0.241
R-free	0.26470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gd9
RMSD bond length	0.008
RMSD bond angle	1.392
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.272	2.022
High resolution limit [Å]	1.988	1.988
Rmerge	0.344	2.169
Rmeas	0.351
Rpim	0.072	0.428
Number of reflections	33926	1668
<I/σ(I)>	6.4
Completeness [%]	100.0	99.9
Redundancy	25.5	26.7
CC(1/2)	0.995	0.928

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, 2.20 M Ammonium sulfate, 0.02 M sulfonato-calix[8]arene, 0.05 M spermine