7E5E

Crystal structure of GDP-bound GNAS in complex with the cyclic peptide inhibitor GD20

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-12-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999965
Spacegroup name	P 1
Unit cell lengths	58.105, 81.771, 76.912
Unit cell angles	81.27, 83.84, 90.70

Refinement procedure

Resolution	48.540 - 1.950
R-factor	0.2196
Rwork	0.218
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6au6
RMSD bond length	0.004
RMSD bond angle	0.692
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.081	1.202
Rpim	0.059	0.762
Number of reflections	95974	4489
<I/σ(I)>	11.4	0.815
Completeness [%]	97.0
Redundancy	3.4
CC(1/2)	0.991	0.422

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	293	0.1M Tris 8.2, 26% PEG 4000, 0.8M LiCl