4O7I

Structural and functional characterization of 3'(2'),5'-bisphosphate nucleotidase1 from Entamoeba histolytica

Replaces:  4GDG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-08-10
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	39.445, 64.520, 117.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.110
R-factor	0.1867
Rwork	0.184
R-free	0.23167
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qgx
RMSD bond length	0.010
RMSD bond angle	1.337
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0045)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.130	0.470
Number of reflections	16255
<I/σ(I)>	13.7	3.7
Completeness [%]	95.5	93.6
Redundancy	8.2	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	28% PEG 4000, 200mM lithium acetate, 5mM magnesium chloride, 5mM adenosine monophospahte, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K