1H31

Oxidised SoxAX complex from Rhodovulum sulfidophilum

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2000-06-15
Spacegroup name	P 1 21 1
Unit cell lengths	81.188, 102.894, 114.365
Unit cell angles	90.00, 110.45, 90.00

Refinement procedure

Resolution	20.000 - 2.550
R-factor	0.21
Rwork	0.210
R-free	0.26400
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.298
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.550
Rmerge	0.031	0.050 *
Total number of observations	101074 *
Number of reflections	58706
Completeness [%]	98.2	88.7 *
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5		pH 6.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	15 (%(w/v))
2	1	reservoir	magnesium acetate	0.2 (M)
3	1	reservoir	MES	100 (mM)	pH6.5