1LK0

Disulfide intermediate of C89L Arsenate reductase from pI258

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2001-10-26
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	61.710, 35.480, 62.980
Unit cell angles	90.00, 118.01, 90.00

Refinement procedure

Resolution	30.000 * - 1.600
R-factor	0.21
Rwork	0.203
R-free	0.23400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	C10SC15A ArsC (PDB ENTRY 1JF8)
RMSD bond length	0.011
RMSD bond angle	1.510 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.033 *	0.065
Total number of observations	214661 *
Number of reflections	32094 *
Completeness [%]	97.3	97.6
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	20 *	PEG4000, Tris, KCl, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	20 (mM)	pH8.0
2	1	drop		100 (mM)
3	1	reservoir	Tris-HCl	100 (mM)	pH8.0
4	1	reservoir	ammonium bicarbonate	50 (mM)
5	1	reservoir	PEG4000	42.5 (%(w/v))