Deposited model

PDB 6ZAI|dpdb_vqgumc41

Deposited model

Room temperature XFEL Isopenicillin N synthase structure in complex with Fe, O2 and ACV after exposure to dioxygen for 1600ms.

Program
PHENIX 1.12_2829
Model type
Deposited
Purpose
Reference
Authors
Rabe, P., Kamps, J.J.A.G., Sutherlin, K., Pharm, C., McDonough, M.A., Leissing, T.M., Aller, P., Butryn, A., Linyard, J., Lang, P., Brem, J., Fuller, F.D., Batyuk, A., Hunter, M.S., Pettinati, I., Clifton, I.J., Alonso-Mori, R., Gul, S., Young, I., Kim, I., Bhowmick, A., ORiordan, L., Brewster, A.S., Claridge, T.D.W., Sauter, N.K., Yachandra, V., Yano, J., Kern, J.F., Orville, A.M., Schofield, C.J.
Atoms
2,853
Residues
328
Protein chains
1
Unmodeled fraction
0.91%
Ligands
ACV, FE2, OXY

Evaluations

R-work
0.165
R-free
0.186
Clashscore
0.8

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Isopenicillin N synthase331
  • Aspergillus nidulans FGSC A4227321
—

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations