1LFM

CRYSTAL STRUCTURE OF COBALT(III)-SUBSTITUTED CYTOCHROME C (TUNA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-09-25
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 43
Unit cell lengths	74.175, 74.175, 35.561
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.690 - 1.500
R-factor	0.183
Rwork	0.183
R-free	0.22000
Structure solution method	rigid body refinement
Starting model (for MR)	3cyt
RMSD bond length	0.018
RMSD bond angle	22.500 *
Data reduction software	XFIT
Data scaling software	SCALEPACK
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.690	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.073 *
Number of reflections	27926
<I/σ(I)>	17.3	3.2
Completeness [%]	89.2	88.4
Redundancy	2.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5 *	298	(NH4)2SO4, NaCl, Na3PO4, pH 6.4, VAPOR DIFFUSION, HANGING DROP at 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	50 (mg/ml)
2	1	reservoir	ammonium sulfate	70-75 (%sat)
3	1	reservoir		0.75 (M)
4	1	reservoir	NaPi	0.1 (M)	pH6.5