2GMK

Crystal structure of onconase double mutant with spontaneously-assembled (AMP) 4 stack

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2006-01-27
Detector	BRUKER PROTEUM-R
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	28.994, 52.112, 66.142
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.927 - 1.650
Rwork	0.165
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1onc
RMSD bond length	0.010
RMSD bond angle	1.718
Data scaling software	SAINT
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.142	66.142	1.700
High resolution limit [Å]	1.650	4.650	1.650
Rmerge	0.054	0.043	0.662
Number of reflections	12645
<I/σ(I)>	40.66	125.63	3.32
Completeness [%]	99.9	99.1	99.6
Redundancy	26.59	63.76	5.07

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PROTEIN SOLUTION (21.4 MG/ML PROTEIN) MIXED IN A 1:1 RATIO WITH THE WELL SOLUTION (30.6% MEPEG 2K, 0.050 M AMP, 0.090 M BisTris pH 6.5) Crystals cryo-protected with the well solution supplemented with 5% ethylene glycol, vapor diffusion, hanging drop, temperature 293K, VAPOR DIFFUSION, HANGING DROP