6GD9

Cytochrome c in complex with Sulfonato-calix[8]arene, P43212 form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98
Spacegroup name	P 43 21 2
Unit cell lengths	101.590, 101.590, 86.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.830 - 2.650
R-factor	0.2447
Rwork	0.243
R-free	0.28640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ycc
RMSD bond length	0.005
RMSD bond angle	1.182
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]	71.830	71.830	2.780
High resolution limit [Å]	2.650	8.790	2.650
Rmerge	0.166	0.079	0.507
Rmeas	0.175	0.084	0.535
Rpim	0.054	0.028	0.166
Number of reflections	13680	445	1786
<I/σ(I)>	9.8
Completeness [%]	99.9	99.9	100
Redundancy	10	9.3	10.1
CC(1/2)	0.988	0.993	0.507

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	1.85 M ammonium sulfate 0.1 M HEPES pH 7.0 0.2 M NaCl (2x protein solution : 1x crystallisation condition)