1I55

CYTOCHROME C (TUNA) WITH 2ZN:1FE MIXED-METAL PORPHYRINS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-07-22
Detector	ADSC QUANTUM 4
Wavelength(s)	1.2820
Spacegroup name	P 43
Unit cell lengths	74.359, 74.359, 35.703
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.640 - 2.000
R-factor	0.218
Rwork	0.218
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cyt
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.062	0.130
Number of reflections	19049
<I/σ(I)>	17.1
Completeness [%]	81.7	78.2
Redundancy	1.7	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6	298	(NH4)2SO4 NACL NaPi, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	70-85 (%sat)
2	1	reservoir		0.75 (M)
3	1	reservoir	NaPi	0.1 (M)	pH6.0
4	1	drop	protein	4-10 (mM)