1OKG

3-mercaptopyruvate sulfurtransferase from Leishmania major

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-06-21
Detector	ADSC CCD
Spacegroup name	P 42 21 2
Unit cell lengths	109.574, 109.574, 67.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.700 - 2.100
R-factor	0.212
Rwork	0.208
R-free	0.28700
Structure solution method	OTHER
RMSD bond length	0.016 *
RMSD bond angle	1.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.047	0.316
Total number of observations	131345 *
Number of reflections	23924
<I/σ(I)>	23.2	4.5
Completeness [%]	97.8	97.2
Redundancy	5.4	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5 *	20 *	pH 8.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3.5 (mg/ml)
2	1	reservoir	PEG8000	14 (%(w/v))
3	1	reservoir	sodium cacodylate	80 (mM)	pH6.5
4	1	reservoir	calcium acetate	160 (mM)