4AOP

SULFITE REDUCTASE HEMOPROTEIN PARTIALLY PHOTOREDUCED WITH PROFLAVINE EDTA, PHOSPHATE PARTIALLY BOUND

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	1995-03-02
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 - 1.800
R-factor	0.175
Rwork	0.175
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aop
RMSD bond length	0.010
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]	10.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.070 *	0.289 *
Number of reflections	41756
<I/σ(I)>	19	4.9
Completeness [%]	96.4	95.2 *
Redundancy	2.8

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 (%)