2ZTI

Structures of dimeric nonstandard nucleotide triphosphate pyrophosphatase from Pyrococcus horikoshii OT3: functional significance of interprotomer conformational changes

Replaces:  2EHK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-11-04
Detector	RIGAKU
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	76.282, 76.282, 82.585
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 2.600
R-factor	0.21
Rwork	0.210
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v7r
RMSD bond length	0.008
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.070
Number of reflections	8881
<I/σ(I)>	9.2
Completeness [%]	99.8	97.3
Redundancy	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	295	0.08M MES, 1.6M NH(2)SO4, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 295K