3TL6

Crystal structure of purine nucleoside phosphorylase from Entamoeba histolytica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9765
Spacegroup name	P 1 21 1
Unit cell lengths	97.970, 86.560, 102.560
Unit cell angles	90.00, 117.88, 90.00

Refinement procedure

Resolution	50.000 - 2.650
R-factor	0.2149
Rwork	0.213
R-free	0.25720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3occ
RMSD bond length	0.008
RMSD bond angle	1.225
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.720
High resolution limit [Å]	2.650	11.850	2.650
Rmerge	0.067	0.027	0.506
Number of reflections	43802	517	3233
<I/σ(I)>	14.52	35.24	2.9
Completeness [%]	98.7	95.9	99.2
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	EnhiA.01033.a.MB1 PW30575 at 24.4 mg/mL against JCSG+ screen condition H7: 0.2 M ammonium sulfate, 0.1 M Bis-Tris, pH 5.5, 25% PEG3350, with 20% ethylene glycol as cryoprotectant, crystal tracking ID 218267h7, VAPOR DIFFUSION, SITTING DROP, temperature 289K