5KLU

Crystal Structure of a Domain-swapped Dimer of Yeast Iso-1-cytochrome c with omega-undecylenyl-beta-D-maltopyranoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-05
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97945
Spacegroup name	P 21 21 2
Unit cell lengths	54.489, 61.438, 74.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.083 - 1.990
R-factor	0.2073
Rwork	0.201
R-free	0.25640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.957
Data reduction software	XDS
Data scaling software	Aimless (0.5.25)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.430	37.430	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.259	0.054	1.819
Rmeas	0.263	0.055	1.881
Rpim	0.044	0.011	0.473
Total number of observations	397044	7289	19036
Number of reflections	17478
<I/σ(I)>	23.3	92.9	1.6
Completeness [%]	99.7	98.9	98
Redundancy	22.7	30.5	15.1
CC(1/2)	0.998	0.999	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	Reservior: 90% ammonium sulfate, 0.1 M Tris, pH 7.5 Protein: 8 mg/mL in 75% ammonium sulfate Detergent: 12 mM w-undecylenyl-b-D-maltopyranoside in deionized water Mixed 2:2:1