1F7R

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	SIEMENS
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-09-27
Detector	MARRESEARCH
Spacegroup name	P 21 3
Unit cell lengths	72.440, 72.440, 72.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.192
R-free	0.26600 *
RMSD bond length	0.013
RMSD bond angle	30.300 *

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.104	0.246
Total number of observations	10960 *
Number of reflections	4414
<I/σ(I)>	11.1
Completeness [%]	96.4	92.5
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5 *	295	1.25 M sodium citrate. The protein solution was incubated with 25 mM dUDP prior to crystallization experiments., 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	1.25 (M)