6PHI

Crystal structure of native glucagon in space group I41 at 1.1 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2017-09-20
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	I 41
Unit cell lengths	42.555, 42.555, 28.376
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.610 - 1.100
R-factor	0.136
Rwork	0.136
R-free	0.13870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pho
RMSD bond length	0.007
RMSD bond angle	0.975
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.610	1.120
High resolution limit [Å]	1.100	1.100
Rmeas	0.045	0.574
Rpim	0.017	0.226
Number of reflections	10334	536
<I/σ(I)>	28.4	3.6
Completeness [%]	99.2	99.8
Redundancy	6.9	6.4
CC(1/2)	0.999	0.898

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	2.5 M sodium chloride, 0.1 M imidazole, pH 8