4F95

Crystal structure of human inosine triphosphate pyrophosphatase P32T variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-07-29
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	31.020, 104.420, 50.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.736 - 2.070
R-factor	0.2373
Rwork	0.234
R-free	0.30790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2i5d
RMSD bond length	0.009
RMSD bond angle	1.252
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.740	2.140
High resolution limit [Å]	2.070	2.070
Rmerge	0.057	0.478
Number of reflections	10531
<I/σ(I)>	9.9	2.1
Completeness [%]	100.0	100
Redundancy	3.66	3.71

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.667	295.15	24.4% PEG 3350, 0.1 M BIS-TRIS, 10 MM BETA-MERCAPTOETHANOL, pH 6.667, VAPOR DIFFUSION, HANGING DROP, temperature 295.15K