1JFV

X-Ray Structure of oxidised C10S, C15A arsenate reductase from pI258

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	2000-01-01
Detector	MARRESEARCH
Wavelength(s)	1.043, 1.0425, 0.9918
Spacegroup name	P 21 21 21
Unit cell lengths	33.800, 35.630, 109.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.000 - 2.000
R-factor	0.226 *
Rwork	0.236
R-free	0.27100 *
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.860 *
Data reduction software	DENZO
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.086 *	0.352 *
Total number of observations	162849 *
Number of reflections	9502
<I/σ(I)>	47
Completeness [%]	99.9	100
Redundancy	34	30

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	Peg4000, arsenite, sodium perchlorate, potassium chloride, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-HCl	50 (mM)
2	1	reservoir		100 (mM)
3	1	reservoir	PEG4000	42.5 (%(w/v))