1OA1

REDUCED HYBRID CLUSTER PROTEIN (HCP) FROM DESULFOVIBRIO VULGARIS HILDENBOROUGH STRUCTURE AT 1.55A RESOLUTION USING SYNCHROTRON RADIATION.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-15
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	64.053, 67.464, 134.955
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.500 - 1.550
R-factor	0.132
Rwork	0.131
R-free	0.15300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB FROM ANAEROBILLY AS-ISOLATED HCP PROTEIN 1.35A (D.ARAGAO PRIVATE COMMUNICATION)
RMSD bond length	0.011 *
RMSD bond angle	1.292 *
Data reduction software	DENZO
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.500	1.590
High resolution limit [Å]	1.550	1.550
Rmerge	0.071	0.254
Total number of observations	262651 *
Number of reflections	81856
<I/σ(I)>	13.2	3.6
Completeness [%]	95.7	93.5
Redundancy	3.2	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.5	277	25 PEG 4000 0.1M MES PH 6.5, TEMPERATURE 277 KELVIN

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	25 (%)
2	1	reservoir	MES	0.1 (M)	pH6.5
3	1	drop	protein	25 (mg/ml)
4	1	drop	Tris-HCl	20 (mM)	pH7.6
5	1	drop		0.05 (M)