5AOP

SULFITE REDUCTASE STRUCTURE REDUCED WITH CRII EDTA, 5-COORDINATE SIROHEME, SIROHEME FEII, [4FE-4S] +1

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	1996-01-12
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 - 2.200
R-factor	0.164
Rwork	0.164
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aop
RMSD bond length	0.009
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.096 *	0.303 *
Number of reflections	24568
<I/σ(I)>	12.2	3.7
Completeness [%]	99.4	99.7
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.7 *		macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG MW 8000	11 (%)