6GD7

Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with PEG

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	H 3
Unit cell lengths	81.420, 81.420, 82.364
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.710 - 1.550
R-factor	0.151
Rwork	0.149
R-free	0.18350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5LYC chain A
RMSD bond length	0.011
RMSD bond angle	1.437
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.710	1.580
High resolution limit [Å]	1.550	1.550
Rmeas	0.056	0.516
Rpim	0.026	0.256
Number of reflections	29520	1434
<I/σ(I)>	12.8
Completeness [%]	99.9	99.9
Redundancy	4.4	3.9
CC(1/2)	1.000	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	5 % PEG 3350 (2x protein solution : 1x crystallisation condition)