1F7P

CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-01-27
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	68.770, 72.000, 77.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.300
R-factor	0.221
RMSD bond length	0.009
RMSD bond angle	30.500 *

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.360
High resolution limit [Å]	2.280	2.280
Rmerge	0.078 *	0.635
Total number of observations	65258 *
Number of reflections	19893
<I/σ(I)>	6.8
Completeness [%]	99.3	100
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5 *	295	1.0M Sodium citrate pH 6.5. The crystals were soaked in 10 mM dUDP for 17 hrs, VAPOR DIFFUSION, SITTING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	21 (mg/ml)
2	1	drop		5 (mM)
3	1	drop	beta-mercaptoethanol	2 (mM)
4	1	drop	Tris-HCl	50 (mM)
5	1	reservoir	sodium citrate	1.0 (M)