5B3I

Homo-dimeric structure of cytochrome c' from Thermophilic Hydrogenophilus thermoluteolus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-11-25
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 2 21
Unit cell lengths	54.243, 72.923, 132.365
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.953 - 1.890
R-factor	0.1978
Rwork	0.196
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bbh
RMSD bond length	0.012
RMSD bond angle	1.655
Data reduction software	d*TREK (8.0SSI)
Data scaling software	d*TREK (8.0SSI)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.520	43.520	1.960
High resolution limit [Å]	1.890	4.070	1.890
Rmerge	0.104	0.046	0.342
Rmeas	0.104
Total number of observations	404512	47460	21453
Number of reflections	41938
<I/σ(I)>	11	25.1	3.8
Completeness [%]	97.7	98.3	83.6
Redundancy	9.57	10.18	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.1	297	18% PEG 4000, 0.1M Tris-HCl