6S8Y

Crystal structure of cytochrome c in complex with a sulfonated quinoline-derived foldamer

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 EIGER2 X 9M
Wavelength(s)	0.98009
Spacegroup name	P 32 2 1
Unit cell lengths	39.138, 39.138, 187.366
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.900 - 2.090
R-factor	0.227
Rwork	0.225
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lyc
RMSD bond length	0.010
RMSD bond angle	1.520
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.450	2.120
High resolution limit [Å]	2.090	2.090
Rmerge	0.082	1.241
Rmeas	0.084	1.273
Rpim	0.020	0.283
Number of reflections	10590	10386
<I/σ(I)>	19	2.3
Completeness [%]	100.0	100
Redundancy	18.8
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	5 % PEG 3350, 100 mM sodium acetate pH 4.5, 200 mM zinc acetate