6GD6

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

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	82.003, 82.003, 82.535
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.680 - 1.200
R-factor	0.1197
Rwork	0.119
R-free	0.13610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5LYC chain A
RMSD bond length	0.011
RMSD bond angle	1.480
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]	35.680	35.680	1.220
High resolution limit [Å]	1.200	6.570	1.200
Rmerge	0.055	0.038	0.533
Rmeas	0.064	0.046	0.636
Rpim	0.032	0.025	0.341
Number of reflections	64600	362	3186
<I/σ(I)>	9.9
Completeness [%]	99.8	91.9	99.5
Redundancy	3.7	3.4	3.3
CC(1/2)	0.998	0.977	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.75 M ammonium sulfate 0.2 M NaCl (2x protein solution : 1x crystallisation condition)