4OW3

Thermolysin structure determined by free-electron laser

Summary for 4OW3

• Entry DOI: 10.2210/pdb4ow3/pdb
• Descriptor: Thermolysin, ZINC ION, CALCIUM ION, ... (4 entities in total)
• Functional Keywords: thermolysin, protease, hydrolase
• Biological source: Bacillus thermoproteolyticus
• Total number of polymer chains: 1
• Total formula weight: 34586.06

Authors

Hattne, J.,Echols, N.,Tran, R.,Kern, J.,Gildea, R.J.,Brewster, A.S.,Alonso-Mori, R.,Glockner, C.,Hellmich, J.,Laksmono, H.,Sierra, R.G.,Lassalle-Kaiser, B.,Lampe, A.,Han, G.,Gul, S.,DiFiore, D.,Milathianaki, D.,Fry, A.R.,Miahnahri, A.,White, W.E.,Schafer, D.W.,Seibert, M.M.,Koglin, J.E.,Sokaras, D.,Weng, T.-C.,Sellberg, J.,Latimer, M.J.,Glatzel, P.,Zwart, P.H.,Grosse-Kunstleve, R.W.,Bogan, M.J.,Messerschmidt, M.,Williams, G.J.,Boutet, S.,Messinger, J.,Zouni, A.,Yano, J.,Bergmann, U.,Yachandra, V.K.,Adams, P.D.,Sauter, N.K. (deposition date: 2014-01-30, release date: 2014-03-12, Last modification date: 2023-09-27)

Primary citation

Hattne, J.,Echols, N.,Tran, R.,Kern, J.,Gildea, R.J.,Brewster, A.S.,Alonso-Mori, R.,Glockner, C.,Hellmich, J.,Laksmono, H.,Sierra, R.G.,Lassalle-Kaiser, B.,Lampe, A.,Han, G.,Gul, S.,DiFiore, D.,Milathianaki, D.,Fry, A.R.,Miahnahri, A.,White, W.E.,Schafer, D.W.,Seibert, M.M.,Koglin, J.E.,Sokaras, D.,Weng, T.C.,Sellberg, J.,Latimer, M.J.,Glatzel, P.,Zwart, P.H.,Grosse-Kunstleve, R.W.,Bogan, M.J.,Messerschmidt, M.,Williams, G.J.,Boutet, S.,Messinger, J.,Zouni, A.,Yano, J.,Bergmann, U.,Yachandra, V.K.,Adams, P.D.,Sauter, N.K.
Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers.
Nat.Methods, 11:545-548, 2014

PubMed Abstract: X-ray free-electron laser (XFEL) sources enable the use of crystallography to solve three-dimensional macromolecular structures under native conditions and without radiation damage. Results to date, however, have been limited by the challenge of deriving accurate Bragg intensities from a heterogeneous population of microcrystals, while at the same time modeling the X-ray spectrum and detector geometry. Here we present a computational approach designed to extract meaningful high-resolution signals from fewer diffraction measurements.

PubMed: 24633409
DOI: 10.1038/nmeth.2887

Experimental method

X-RAY DIFFRACTION (2.1 Å)