6QQG

High pressure structure of bovine insulin (60 MPa)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION SUPERNOVA
Temperature [K]	273
Detector technology	CCD
Collection date	2011-03-03
Detector	AGILENT ATLAS CCD
Wavelength(s)	0.7107
Spacegroup name	I 21 3
Unit cell lengths	78.712, 78.712, 78.712
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.782 - 2.149
R-factor	0.1683
Rwork	0.167
R-free	0.17600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bn3
RMSD bond length	0.014
RMSD bond angle	1.641
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.780	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.105	0.329
Number of reflections	4373	382
<I/σ(I)>	7.7	2
Completeness [%]	97.0
Redundancy	1.9	1.9
CC(1/2)	0.996	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10	293	0.01 M Na3EDTA, 0.1 M Na2HPO4