3DVF

Structure of amyloidogenic kappa 1 Bence Jones protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-09-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5241
Spacegroup name	P 61 2 2
Unit cell lengths	81.428, 81.428, 77.259
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	77.150 - 1.800
R-factor	0.19569
Rwork	0.193
R-free	0.26566
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q20
RMSD bond length	0.026
RMSD bond angle	1.967
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.150	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.036	3.440
Number of reflections	13965
<I/σ(I)>	17.2	3.3
Completeness [%]	93.8	87.9
Redundancy	3.66	3.85

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Protein: 923 mM in 10 mM Tris-HCl buffer, pH 7.4. Mother Liquor: 20% w/v polyethylene glycol 4000, 0.2 M Li2SO4, 0.1 M Tris buffer, pH 6.8, under 60% paraffin oil and 40% silicon oil, VAPOR DIFFUSION, HANGING DROP, temperature 295K