1F7O

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	1999-01-25
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	68.290, 71.700, 77.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.200
R-factor	0.216
R-free	0.28600
RMSD bond length	0.011
RMSD bond angle	30.900 *

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.071	0.405
Total number of observations	62046 *
Number of reflections	18956
<I/σ(I)>	4.1
Completeness [%]	96.1	94
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, 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)