1JF8

X-ray structure of reduced C10S, C15A arsenate reductase from pI258

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-02-23
Detector	MARRESEARCH
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	33.900, 34.200, 99.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.000 - 1.120
R-factor	0.185 *
Rwork	0.208
R-free	0.21800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	structure of oxidised pI258 ArsC
RMSD bond length	0.011
RMSD bond angle	1.960 *
Data reduction software	DENZO
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000	1.160
High resolution limit [Å]	1.120	1.120
Rmerge	0.039	0.359
Total number of observations	299466 *
Number of reflections	44496
<I/σ(I)>	20.7	2.4
Completeness [%]	98.3	95.8
Redundancy	6.6	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	Peg4000, Tris, potassium chloride, sodium arsenite, 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	100 (mM)
2	1	reservoir	PEG4000	45 (%(w/v))