1GN9

Hybrid Cluster Protein from Desulfovibrio desulfuricans ATCC 27774 X-ray structure at 2.6A resolution using synchrotron radiation at a wavelength of 1.722A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2000-11-15
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	57.400, 61.800, 72.200
Unit cell angles	82.70, 73.70, 87.30

Refinement procedure

Resolution	25.010 - 2.600
R-factor	0.193
Rwork	0.193
R-free	0.26000
Structure solution method	IRON ANOMALOUS AND MOLECULAR REPLACEMENT
Starting model (for MR)	PDB FROM ENTRY 1E2U EXCLUDING ALL CLUSTER ATOMS AND SOLVENT MOLECULES
RMSD bond length	0.013
RMSD bond angle	22.300 *
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.080 *	0.130 *
Total number of observations	114637 *
Number of reflections	27761
<I/σ(I)>	4.2	2.6
Completeness [%]	95.9	94.5
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.6 *	293	25% PEG 4000, 0.1M MES PH6.0, T=293K, pH 6.00

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)	pH6.0
3	1	drop	protein	12.6 (mg/ml)
4	1	drop	Tris-HCl	20 (mM)	pH7.6
5	1	drop		0.2 (M)