1QCC

CRYSTAL STRUCTURES OF ADENINE PHOSPHORIBOSYLTRANSFERASE FROM LEISHMANIA DONOVANI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-02
Detector	RIGAKU RAXIS IV
Spacegroup name	P 61 2 2
Unit cell lengths	63.757, 63.757, 236.617
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.700 - 1.980
Rwork	0.187
R-free	0.24100
RMSD bond length	0.006
RMSD bond angle	24.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.700 *
High resolution limit [Å]	1.980 *
Rmerge	0.051 *	0.124 *
Total number of observations	349744 *
Number of reflections	19055 *
Completeness [%]	91.5 *	61.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6 *	4 *	REG 5000 MME, AMMONIUM ACETATE, SODIUM CITRATE, MAGNESIUM CHLORIDE, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	MES	10 (mM)
3	1	drop	dithiothreitol	1 (mM)
4	1	drop		5 (mM)
5	1	reservoir	mPEG5000	7-11 (%)
6	1	reservoir	ammonium acetate	0.2 (M)
7	1	reservoir	sodium citrate	0.1 (M)
8	1	reservoir		10 (mM)