1F7D

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-03-20
Detector	MARRESEARCH
Spacegroup name	P 63
Unit cell lengths	77.057, 77.057, 86.117
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.400
R-factor	0.178 *
Rwork	0.228
R-free	0.21800
RMSD bond length	0.008
RMSD bond angle	29.600 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.440
High resolution limit [Å]	1.400	1.400
Rmerge	0.038	0.204 *
Total number of observations	212437 *
Number of reflections	55495
<I/σ(I)>	11.1
Completeness [%]	97.1	82.3
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5 *	295	13% MPEG 5K, 50mM Sodium cacodylate, 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 (mg/ml)
5	1	reservoir	mPEG5000	13 (%)
6	1	reservoir	sodium cacodylate	50 (mM)