6SUY

Yeast cytochrome c in complex with an octa-anionic calix[4]arene

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	2019-02-02
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.97624
Spacegroup name	P 32 2 1
Unit cell lengths	102.489, 102.489, 72.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.620 - 1.750
R-factor	0.167
Rwork	0.167
R-free	0.17900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lyc
RMSD bond length	0.010
RMSD bond angle	1.090
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]	56.000	1.777
High resolution limit [Å]	1.747	1.747
Rmerge	0.149	1.888
Rmeas	0.153	1.939
Rpim	0.034	0.440
Number of reflections	44640	2207
<I/σ(I)>	15.7
Completeness [%]	100.0	100
Redundancy	20.3	19.1
CC(1/2)	0.998	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	3.15 M Ammonium sulfate + 0.1 M sodium citrate pH 5.0