3F8G

The X-ray structure of a dimeric variant of human pancreatic ribonuclease with high cytotoxic and antitumor activities

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-14
Detector	MAR CCD 165 mm
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	45.855, 78.256, 80.695
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.600
Rwork	0.215
R-free	0.30600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e21 the crystal structure of des(1-7)RNase
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	2.600
Rmerge	0.090
Number of reflections	9128
<I/σ(I)>	20
Completeness [%]	98.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	A protein solution of 10mg/ml in 10mM Tris acteate ph 7.0, 300mM NaCl was equilibrated against a solution containing 27% w/v PEG, 0.2 M AS, and 100mM cacodylate buffer ph 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K