3P33

Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Collection date	2005-01-14
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	77.900, 77.900, 78.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.110 - 2.300
Rwork	0.214
R-free	0.29900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xda
RMSD bond angle	0.008
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.110	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	0.063	0.265
Number of reflections	10019
<I/σ(I)>	7.37	7.7
Completeness [%]	96.9	76.7
Redundancy	4.41	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	298	0.05 M sodium citrate, 1% phenol, 0.04% zinc acetate, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K