2I6J

Crystal structure of the complex of the archaeal sulfolobus PTP-fold phosphatase with phosphate ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL12B2
Synchrotron site	SPring-8
Beamline	BL12B2
Temperature [K]	298
Detector technology	CCD
Collection date	2005-11-03
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 41
Unit cell lengths	72.289, 72.289, 32.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.660
Rwork	0.208
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ohe
RMSD bond length	0.005
RMSD bond angle	1.443
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	1.720
High resolution limit [Å]	1.660	1.660
Rmerge	0.460	0.460
Number of reflections	19596
<I/σ(I)>	25.1	2.26
Completeness [%]	87.2
Redundancy	4.1	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K