1I77

CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ESSEX 6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1997-07-03
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	36.370, 49.390, 70.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.000 - 1.950
R-factor	0.173 *
Rwork	0.173
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2CYR
RMSD bond length	0.011
RMSD bond angle	1.471
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000	2.010
High resolution limit [Å]	1.950	1.950
Rmerge	0.117	0.335
Total number of observations	59364 *
Number of reflections	9654
<I/σ(I)>	9.9	3.1
Completeness [%]	98.3	98.5
Redundancy	3.8	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	21 *	PEG MME 2000, sodium acetate, ammonium sulfate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG2000 MME	30 (%)
2	1	reservoir	sodium acetate	0.1 (M)
3	1	reservoir	ammonium sulfate	0.2 (M)
4	1	drop	protein	5 (mg/ml)