6PHQ

Crystal structure of glucagon analog fully composed of D-amino acids with 4-bromo-D-phenylalanine substitutions at position 6 and 22 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	2019-03-16
Detector	RDI CMOS_8M
Wavelength(s)	0.9184
Spacegroup name	I 41
Unit cell lengths	41.770, 41.770, 30.439
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.880 - 1.320
R-factor	0.2009
Rwork	0.199
R-free	0.24730
Structure solution method	SAD
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]	20.880	1.450
High resolution limit [Å]	1.320	1.320
Rmeas	0.063	1.459
Rpim	0.016	0.522
Number of reflections	6050	1512
<I/σ(I)>	26.8	1.7
Completeness [%]	98.0	100
Redundancy	22.6	14.6
CC(1/2)	0.999	0.737

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M sodium chloride, 20% PEG3350