4M6A

N-Terminal beta-Strand Swapping in a Consensus Derived Alternative Scaffold Driven by Stabilizing Hydrophobic Interactions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-15
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	87.370, 41.880, 128.180
Unit cell angles	90.00, 92.82, 90.00

Refinement procedure

Resolution	35.000 - 2.710
R-factor	0.2353
Rwork	0.232
R-free	0.29030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tes
RMSD bond length	0.002
RMSD bond angle	0.549
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_896))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.090
Number of reflections	23524
<I/σ(I)>	10.4
Completeness [%]	91.1	60.2
Redundancy	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	295	0.1 M sodium acetate buffer, pH 4.6, 25% PEG 4K, 0.2 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 295K