6PHP

Crystal structure of glucagon analog with 4-bromo-phenylalanine substitutions at position 6 and 22 in space group I41 at 1.65 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	2018-05-17
Detector	RDI CMOS_8M
Wavelength(s)	0.9184
Spacegroup name	I 41
Unit cell lengths	41.712, 41.712, 30.434
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.490 - 1.650
R-factor	0.2266
Rwork	0.225
R-free	0.24580
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.556
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.490	2.010
High resolution limit [Å]	1.650	1.650
Rmeas	0.110	1.320
Rpim	0.042	0.510
Number of reflections	3194	1267
<I/σ(I)>	10.7	1.1
Completeness [%]	99.7
Redundancy	6.6
CC(1/2)	0.996	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Tacsimate, pH 4, 16% PEG3350, 0.1 M sodium acetate, pH 4.6