3EIZ

Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei, H32 crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-27
Wavelength(s)	1.5418
Spacegroup name	H 3 2
Unit cell lengths	67.761, 67.761, 193.609
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.880
R-factor	0.202
Rwork	0.199
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.428
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.950
High resolution limit [Å]	1.880	1.880
Rmerge	0.055	0.353
Number of reflections	13774
<I/σ(I)>	18.8
Completeness [%]	96.0	82
Redundancy	5.8	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.4	289	100 MM IMIDAZOLE, PH 5.4, 20% PEG 3500, 100 MM SODIUM THIOCYANATE, , pH 5.40, VAPOR DIFFUSION, SITTING DROP, temperature 289K