3RI0

Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2010-04-08
Detector	MAR scanner 345 mm plate
Spacegroup name	C 1 2 1
Unit cell lengths	61.600, 80.400, 67.300
Unit cell angles	90.00, 111.90, 90.00

Refinement procedure

Resolution	17.000 - 2.250
Rwork	0.217
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cx5
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.000	2.300
High resolution limit [Å]	2.250	2.250
Number of reflections	14246
<I/σ(I)>	12.8	3.5
Completeness [%]	98.0	99.5
Redundancy	1.57

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.2 M ammonium sulfate, 30% PEG8000, 0.2 M sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K