5HT2: Mouse Tdp2 reaction product (5'-phosphorylated DNA)-Mg2+ complex with 1-N6-etheno-adenine
X-ray · 1.43 Å · released 27 Apr 2016 · Escherichia coli; Mus musculus
How it was solved
- Method
- X-ray
- Resolution
- 1.43 Å
- Released
- 27 Apr 2016
- Rfree
- 0.150
- Rwork
- 0.116
- Clashscore
- 1.44
- Ramachandran outliers
- 0.00%
- Rotamer outliers
- 0.91%
Crystallisation
- Technique
- Vapor Diffusion, Sitting Drop
- pH
- 7.0
- Temperature
- 295.0 K
PEG3350, 200mM NaOAc, 20 mM MgOAc, 100 mM HEPES
What it led to
BoltzMaker: Boltz2 campaign-scale structure and affinity prediction, and binding analysis
Playbook · 10 Jul 2026
BoltzMaker: Vibe-Coding a Campaign-Scale Boltz-2 Pipeline
Playbook · 8 Jul 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