1HP1

5'-NUCLEOTIDASE (OPEN FORM) COMPLEX WITH ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-03-26
Detector	MARRESEARCH
Wavelength(s)	0.8468
Spacegroup name	P 41 21 2
Unit cell lengths	83.700, 83.700, 181.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 1.700
R-factor	0.176
Rwork	0.176
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ush
RMSD bond length	0.012
RMSD bond angle	1.690 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.044 *	0.129 *
Total number of observations	287845 *
Number of reflections	71863
<I/σ(I)>	21.7
Completeness [%]	98.1	92.2
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.6	298	Knofel, T., (2001) J.Mol.Biol., 309, 255. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		60 (%sat)
2	1	reservoir	sodium acetate	0.1 (M)	pH6.6
3	1	reservoir		0.3 (M)