6PHN

Crystal structure of glucagon analog composed of D-amino acids with mono-stereoinversion at position 23 (L-Val23) in space group I41 at 1.33 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	39.956, 39.956, 38.554
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.250 - 1.330
R-factor	0.1634
Rwork	0.161
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pho
RMSD bond length	0.004
RMSD bond angle	0.693
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.15_3459: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.250	1.380
High resolution limit [Å]	1.330	1.330
Rmeas	0.055	0.998
Rpim	0.021	0.422
Number of reflections	7026	748
<I/σ(I)>	20.6	1.5
Completeness [%]	99.8	100
Redundancy	6.9	5.4
CC(1/2)	0.999	0.629

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