5GEP

SULFITE REDUCTASE HEMOPROTEIN CARBON MONOXIDE COMPLEX REDUCED WITH CRII EDTA

Experimental procedure

Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1996-01-11
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	69.800, 77.400, 87.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.100
R-factor	0.184
Rwork	0.184
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aop
RMSD bond length	0.011
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.095 *	0.286 *
Number of reflections	26602
<I/σ(I)>	11.7	3.7
Completeness [%]	97.6	96.4
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.7		pH 7.7 OXIDIZED CRYSTALS WERE REDUCED WITH CRII EDTA IN THE PRESENCE OF CO. SIROHEME HAS FEII AND THE [4FE-4S] CLUSTER IS +1. CARBON MONOXIDE IS BOUND TO THE SIROHEME IRON THROUGH CARBON. THIS IS NAMED HP-CO IN THE PRIMARY REFERENCE.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	reservoir	potassium phosphate	65 (mM)
3	1	reservoir	EDTA	0.1 (M)
4	1	reservoir	PEGMW8000	15 (%)