1E86

Cytochrome c' from Alcaligenes xylosoxidans - reduced structure with CO bound to distal side of heme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-06-15
Detector	MARRESEARCH
Spacegroup name	P 65 2 2
Unit cell lengths	53.639, 53.639, 180.935
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 1.950
R-factor	0.203 *
Rwork	0.203
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cgo
RMSD bond length	0.016
RMSD bond angle	0.034
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.066	0.310
Number of reflections	12158
<I/σ(I)>	33.2	5.8
Completeness [%]	98.7	86.8
Redundancy	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2 *	4 *	HANGING DROP VAPOUR DIFFUSION. PROTEIN AT CONCENTRATION 8 MG/ML WAS MIXED WITH AN EQUAL VOLUME OF WELL SOLUTION CONSISTING OF 55-65% SATURATED AMMONIUM SULFATE IN 100 MM HEPES BUFFER AT PH 7.5. REDUCED USING MOTHER LIQUOR CONTAINING 20 MM SODIUM DITHIONITE, THEN INCUBATED FOR 6 DAYS IN MOTHER LIQUOR SATURATED WITH CO.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	reservoir	ammonium sulfate	55-65 (%sat)
4	1	reservoir	HEPES	100 (mM)