6PHM

Crystal structure of glucagon analog fully composed of D-amino acids 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	42.370, 42.370, 28.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.960 - 1.100
R-factor	0.1519
Rwork	0.151
R-free	0.16690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pho
RMSD bond length	0.017
RMSD bond angle	1.484
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]	29.960	1.290
High resolution limit [Å]	1.100	1.100
Rmeas	0.036	0.240
Rpim	0.011	0.134
Number of reflections	10382	3234
<I/σ(I)>	39.3	4.1
Completeness [%]	99.3	90.2
Redundancy	7.9	2.8
CC(1/2)	0.999	0.975

Crystallization Conditions

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