1EZR

CRYSTAL STRUCTURE OF NUCLEOSIDE HYDROLASE FROM LEISHMANIA MAJOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	296
Detector technology	AREA DETECTOR
Collection date	1997-08-01
Detector	SIEMENS
Spacegroup name	P 1 21 1
Unit cell lengths	81.800, 79.200, 109.800
Unit cell angles	90.00, 91.60, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.205
Rwork	0.203
R-free	0.25500
RMSD bond length	0.007 *
RMSD bond angle	0.007
Data reduction software	X-GEN
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.072	0.306
Total number of observations	113835 *
Number of reflections	41035
<I/σ(I)>	10.5
Completeness [%]	84.1	67.7
Redundancy	2.45	1.84

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	18 *	PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13-15 (mg/ml)
2	1	reservoir	MES	100 (mM)
3	1	reservoir	PEG4000	16 (%)