3PHN

Crystal structure of wild-type onconase with resolution 1.46 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER IMUS MICROFOCUS
Temperature [K]	110
Detector technology	CCD
Collection date	2009-12-16
Detector	OXFORD ATLAS CCD
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	32.230, 38.679, 69.588
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.230 - 1.460
R-factor	0.15206
Rwork	0.150
R-free	0.19876
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1onc
RMSD bond length	0.020
RMSD bond angle	1.818
Data reduction software	CrysalisPro
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	14.230	14.230	1.540
High resolution limit [Å]	1.460	4.620	1.460
Rmerge	0.072	0.030	0.342
Number of reflections	15415
<I/σ(I)>	10.8	25.1	2.9
Completeness [%]	97.9	97.9	86.7
Redundancy	2.7	2.8	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	34 % PEG 8000, 0.2 Li2(SO4), 100 mM sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K