6A3L

Crystal structure of cytochrome c' from Shewanella violacea DSS12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-12-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	44.751, 69.707, 45.598
Unit cell angles	90.00, 112.19, 90.00

Refinement procedure

Resolution	22.572 - 2.140
R-factor	0.2203
Rwork	0.215
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.078
Data reduction software	d*TREK
Data scaling software	d*TREK (9.9.9.8 W9DSSI)
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.490	37.490	2.220
High resolution limit [Å]	2.140	4.610	2.140
Rmerge	0.096	0.045	0.451
Rmeas	0.110	0.051	0.517
Total number of observations	61600
Number of reflections	14369	1467	1416
<I/σ(I)>	7.8	23.4	2.7
Completeness [%]	99.9	99.9	100
Redundancy	4.25	4.28	4.22

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.4	277	100 mM CAPS (pH 9.4), 26 % (v/v) PEG 400