6PHL

Crystal structure of glucagon analog with mono-stereoinversion at position 23 (D-Val23) in space group I41 at 1.44 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	40.168, 40.168, 37.794
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.520 - 1.443
R-factor	0.1591
Rwork	0.159
R-free	0.16850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pho
RMSD bond length	0.006
RMSD bond angle	0.845
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]	27.520	1.790
High resolution limit [Å]	1.440	1.440
Rmeas	0.056	1.163
Rpim	0.021	0.427
Number of reflections	5463	2502
<I/σ(I)>	19	1.6
Completeness [%]	99.9	100
Redundancy	7.3	7.4
CC(1/2)	0.999	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	tri-sodium citrate, pH 5.5, 20% PEG3000