6EGZ

Crystal structure of cytochrome c in complex with di-PEGylated sulfonatocalix[4]arene

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97911
Spacegroup name	I 41 3 2
Unit cell lengths	147.961, 147.961, 147.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	104.620 - 2.170
R-factor	0.2046
Rwork	0.203
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ycc
RMSD bond length	0.010
RMSD bond angle	1.461
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	104.620	2.240
High resolution limit [Å]	2.170	2.170
Rpim	0.025	1.290
Number of reflections	14898	1252
<I/σ(I)>	22.5	0.7
Completeness [%]	99.9	98.9
Redundancy	37.4	33.8
CC(1/2)	1.000	0.595

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.6 M Sodium Citrate, 0.1 M Sodium Chloride, 0.1 M Sodium Sulfate