2I6I

crystal structures of the archaeal sulfolobus PTP-fold phosphatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2005-03-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 41
Unit cell lengths	72.364, 72.364, 32.917
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.150
Rwork	0.218
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.366
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.061	0.199
Number of reflections	7981
<I/σ(I)>	18.8	3.9
Completeness [%]	89.8	77.9
Redundancy	2.5	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1M citrate(pH5.5), 20% PEG3000, VAPOR DIFFUSION, HANGING DROP, temperature 298K