6RSI

cytochrome c co-crystallized with 25 eq. sulfonato-calix[8]arene - structure 0

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	101.320, 101.320, 86.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.640 - 2.480
R-factor	0.195
Rwork	0.194
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.240
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]	71.640	2.525
High resolution limit [Å]	2.480	2.482
Rmerge	0.173	1.666
Rmeas	0.176	1.700
Rpim	0.035	0.334
Number of reflections	16406	818
<I/σ(I)>	14.9	2.3
Completeness [%]	100.0
Redundancy	26.1
CC(1/2)	0.998	0.821

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, 0.05 M sulfonato-calix[8]arene.