5KKE

Crystal Structure of a Domain-swapped Dimer of Yeast Iso-1-cytochrome c with CYMAL5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-02-18
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	49.740, 69.326, 72.482
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.981 - 1.701
R-factor	0.1742
Rwork	0.171
R-free	0.20400
Structure solution method	SAD, MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.040
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.058	0.033	0.930
Rmeas	0.060	0.034	0.974
Rpim	0.015	0.009	0.284
Total number of observations	389670
Number of reflections	26560
<I/σ(I)>	16
Completeness [%]	99.9	99.9	99.5
Redundancy	14.7	15.7	11.3
CC(1/2)		1.000	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	Reservior solution: 77% Ammonium Sulfate, 0.1 M Tris, pH 7.5 Protein Solution: 18 mg/mL in 75 % Ammonium Sulfate Detergent Solution: 2.5 mM CYMAL-5 in deionized water Mixed 2:2:1