1ICC

RAT OUTER MITOCHONDRIAL MEMBRANE CYTOCHROME B5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-02-10
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	39.904, 51.315, 167.419
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.22
Rwork	0.196
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1awp
RMSD bond length	0.014
RMSD bond angle	1.610
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.080	0.530
Number of reflections	23878	2324 *
<I/σ(I)>	12.7	2.5
Completeness [%]	98.6	98.9
Redundancy	3.1	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	5 *	PEG 8000 Magnesium Acetate PIPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	27 (%(w/v))
2	1	reservoir	magnesium acetate	0.2 (M)
3	1	reservoir	PIPES	0.1 (M)