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 |