4QXD

Crystal structure of Inositol Polyphosphate 1-Phosphatase from Entamoeba histolytica

Replaces:  4J13

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-04-04
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54170
Spacegroup name	P 21 21 21
Unit cell lengths	72.741, 76.289, 101.067
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.550
R-factor	0.19573
Rwork	0.193
R-free	0.24954
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Model obtained from low resolution anomalous data
RMSD bond length	0.007
RMSD bond angle	1.187
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.550	2.550
Number of reflections	19012
<I/σ(I)>	24.29	4.32
Completeness [%]	99.9	99.8
Redundancy	12.1	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	289	12.5% MPD, 12.5% Peg 1k, 12.5% Peg 3350, 0.03M salt mixture, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 289K