7BPH

Crystal structure of GppNHp-bound GNAS in complex with the cyclic peptide inhibitor GN13

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 21 21 21
Unit cell lengths	68.905, 78.332, 80.043
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.450 - 1.570
R-factor	0.1987
Rwork	0.197
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6au6
RMSD bond length	0.014
RMSD bond angle	1.387
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	1.600
High resolution limit [Å]	1.570	1.570
Rmerge	0.074	1.040
Rmeas	0.086	0.972
Rpim	0.023	0.405
Number of reflections	58703	57627
<I/σ(I)>	27.3	1.32
Completeness [%]	96.9
Redundancy	12.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	0.1M HEPES 7.2, 20% PEG 4000, 10% v/v 2-propanol