6EE7

Small tetraheme cytochrome c from Shewanella oneidensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999999
Spacegroup name	P 1 21 1
Unit cell lengths	24.595, 63.856, 28.979
Unit cell angles	90.00, 97.21, 90.00

Refinement procedure

Resolution	16.922 - 1.394
R-factor	0.1658
Rwork	0.164
R-free	0.18320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m1r
RMSD bond length	0.024
RMSD bond angle	1.698
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.922	1.470
High resolution limit [Å]	1.394	1.390
Rmerge	0.082	0.612
Rpim	0.041	0.310
Number of reflections	34487	3220
<I/σ(I)>	10.8	3.1
Completeness [%]	98.8	95.2
Redundancy	4.7	4.5
CC(1/2)	0.997	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	5 mg/mL of purified cytochrome (1 mM HEPES pH 8.0) were mixed with reservoir solution (16 PEG 3350, 15 mM ZnSO4 in 1:1 (v/v) ratio and placed at 277 K in sitting drop vapor diffusion dishes. Crystals were harvested after ca. 10 days and transferred to 30% PEG 400 before freezing in liquid nitrogen