1QCD

CRYSTAL STRUCTURES OF ADENINE PHOSPHORIBOSYLTRANSFERASE FROM LEISHMANIA DONOVANI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1995-09-01
Detector	OTHER
Spacegroup name	P 61 2 2
Unit cell lengths	64.040, 64.040, 240.530
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.570 - 2.480
Rwork	0.174
R-free	0.25000
RMSD bond length	0.007
RMSD bond angle	24.900 *
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	PHASES
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.600 *
High resolution limit [Å]	2.480 *
Rmerge	0.060 *	0.149 *
Total number of observations	33527 *
Number of reflections	9680 *
Completeness [%]	87.2 *	50.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6 *	277	AMMONIUM SULFATE, SODIUM CITRATE, MAGNESIUM CHLORIDE, pH 4.9, 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	ammonium sulfate	1.2-1.6 (M)
6	1	reservoir	sodium citrate	0.1 (M)
7	1	reservoir		10 (mM)