3RJZ

X-ray crystal structure of the putative n-type atp pyrophosphatase from pyrococcus furiosus, the northeast structural genomics target pfr23

Replaces:  1RU8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.92927
Spacegroup name	P 41 21 2
Unit cell lengths	85.036, 85.036, 74.502
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.930 - 2.300
R-factor	0.239
Rwork	0.239
R-free	0.27300
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB (then SOLVE/RESOLVE)
Refinement software	CNS (1.2 & XtalView)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.082	0.247
Number of reflections	23091
<I/σ(I)>	26.9	6.1
Completeness [%]	99.6	100
Redundancy	6.4	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	Protein solution: 10 mM Tris (pH 7.5), 100 mM sodium chloride, 5 mM DTT, and 0.02% NaN3. Reservoir solution: 380 mM K/NaTartrate, , VAPOR DIFFUSION, HANGING DROP, temperature 277K