6GD8

Cytochrome c in complex with Sulfonato-calix[8]arene, P31 form

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 EIGER X 9M
Wavelength(s)	0.980
Spacegroup name	P 31
Unit cell lengths	66.680, 66.680, 142.881
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	57.750 - 2.500
R-factor	0.1772
Rwork	0.176
R-free	0.19980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5LYC chain A
RMSD bond length	0.008
RMSD bond angle	1.375
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	71.440	71.440	2.600
High resolution limit [Å]	2.500	9.010	2.500
Rmerge	0.131	0.056	0.390
Rmeas	0.158	0.067	0.470
Rpim	0.086	0.036	0.259
Number of reflections	24569	536	2759
<I/σ(I)>	5.7
Completeness [%]	99.7	99.7	99.9
Redundancy	3.1	3.1	3.1
CC(1/2)	0.984	0.992	0.607

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	24 % PEG 3350 0.27 M NaCl 0.09 M MES pH 5.5 (2x protein solution : 1x crystallisation condition)