5D5A: In meso in situ serial X-ray crystallography structure of the Beta2-adrenergic receptor at 100 K
X-ray · 2.48 Å · released 13 Jan 2016 · Homo sapiens; Tequatrovirus T4
Ligands: 12P, PLM, CLR, ACM, BU1, CAU
How it was solved
- Method
- X-ray
- Resolution
- 2.48 Å
- Released
- 13 Jan 2016
- Rfree
- 0.262
- Rwork
- 0.212
- Clashscore
- 5.79
- Ramachandran outliers
- 0.00%
- Rotamer outliers
- 1.83%
Crystallisation
- Technique
- Lipidic Cubic Phase
- Temperature
- 293.0 K
30-35 %(v/v) PEG 400, 0.1-0.2 M Na2SO4, 0.1 M bis-tris propane pH 6.5-7.0 and 5-7 %(v/v) 1,4-butanediol
What it led to
GOBSMACKED: fold, dock, relax and annotate a protein-ligand complex, then grade it against the real crystal structure
Playbook · 15 Sep 2026
Do it yourself
Field Guide: Xray and crystallisation
Unlocking Membrane Protein Structures: The Crystallization Revolution Reshaping Drug Discovery
Engineering Protein Stability: Unlocking the Secrets of Successful Crystallization
AXIS: Closing the Loop on Crystal Detection
Playbook
The Self-Driving Lab: How Automation and AI Are Redefining the Pace of Discovery
Tools
GOBSMACKED ↗
fold, dock, relax and annotate a protein-ligand complex on your own GPU, then find the crystal structure and g
CODSWALLOP ↗
every PDB entry for a protein family in one place: what was actually made, what it bound, what crystallised, a
TopPDBLX ↗
every crystallisation condition in the protein data bank, parsed and indexed: what worked, how often, and how
FlexAppeal ↗
Set up protein molecular dynamics without writing the script: every OpenMM option explained, a self-contained
BoltzMaker ↗
Build and analyze Boltz-2 protein structure prediction campaigns: a guided input wizard, YAML generation, and