6QRK

High pressure structure of bovine insulin (200 MPa)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION SUPERNOVA
Temperature [K]	293
Detector technology	CCD
Collection date	2011-03-16
Detector	AGILENT ATLAS CCD
Wavelength(s)	0.7107
Spacegroup name	I 21 3
Unit cell lengths	78.140, 78.140, 78.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.950 - 2.102
R-factor	0.1982
Rwork	0.193
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bn3
RMSD bond length	0.009
RMSD bond angle	0.934
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]	16.660	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.127	0.703
Number of reflections	4702
<I/σ(I)>	5.5	1.1
Completeness [%]	99.0	100
Redundancy	1.8	1.8
CC(1/2)	0.980	0.454

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10	293	0.01 Na3EDTA, 0.1 MNa2HEDTA