6QQ7

Bovine insulin at ambient pressure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION SUPERNOVA
Temperature [K]	293
Detector technology	CCD
Collection date	2010-11-09
Detector	AGILENT ATLAS CCD
Wavelength(s)	1.5418
Spacegroup name	I 21 3
Unit cell lengths	78.767, 78.767, 78.767
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.447 - 1.650
R-factor	0.1746
Rwork	0.173
R-free	0.19010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bn3
RMSD bond length	0.007
RMSD bond angle	0.738
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]	15.450	1.680
High resolution limit [Å]	1.650	1.650
Rmerge		0.320
Number of reflections	9941	489
<I/σ(I)>	17.3	1.39
Completeness [%]	100.0	100
Redundancy	18.1	13.2
CC(1/2)	1.000	0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10	293	0.01 M Na2HPO4, 0.1 M Na2EDTA