5K2B

2.5 angstrom A2a adenosine receptor structure with MR phasing using XFEL data

Summary for 5K2B

• Entry DOI: 10.2210/pdb5k2b/pdb
• Related: 5K2A 5K2C 5K2D
• Descriptor: Adenosine receptor A2a/Soluble cytochrome b562 chimera, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, SODIUM ION, ... (8 entities in total)
• Functional Keywords: a2a adenosine receptor, membrane protein, gpcr, structural genomics, psi-biology, gpcr network
• Biological source: Homo sapiens, Escherichia coli (Human)
• Total number of polymer chains: 1
• Total formula weight: 57319.66

Authors

Batyuk, A.,Galli, L.,Ishchenko, A.,Han, G.W.,Gati, C.,Popov, P.,Lee, M.-Y.,Stauch, B.,White, T.A.,Barty, A.,Aquila, A.,Hunter, M.S.,Liang, M.,Boutet, S.,Pu, M.,Liu, Z.-J.,Nelson, G.,James, D.,Li, C.,Zhao, Y.,Spence, J.C.H.,Liu, W.,Fromme, P.,Katritch, V.,Weierstall, U.,Stevens, R.C.,Cherezov, V.,GPCR Network (GPCR) (deposition date: 2016-05-18, release date: 2016-09-21, Last modification date: 2023-09-27)

Primary citation

Batyuk, A.,Galli, L.,Ishchenko, A.,Han, G.W.,Gati, C.,Popov, P.A.,Lee, M.Y.,Stauch, B.,White, T.A.,Barty, A.,Aquila, A.,Hunter, M.S.,Liang, M.,Boutet, S.,Pu, M.,Liu, Z.J.,Nelson, G.,James, D.,Li, C.,Zhao, Y.,Spence, J.C.,Liu, W.,Fromme, P.,Katritch, V.,Weierstall, U.,Stevens, R.C.,Cherezov, V.
Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2:e1600292-e1600292, 2016

PubMed Abstract: Serial femtosecond crystallography (SFX) takes advantage of extremely bright and ultrashort pulses produced by x-ray free-electron lasers (XFELs), allowing for the collection of high-resolution diffraction intensities from micrometer-sized crystals at room temperature with minimal radiation damage, using the principle of "diffraction-before-destruction." However, de novo structure factor phase determination using XFELs has been difficult so far. We demonstrate the ability to solve the crystallographic phase problem for SFX data collected with an XFEL using the anomalous signal from native sulfur atoms, leading to a bias-free room temperature structure of the human A adenosine receptor at 1.9 Å resolution. The advancement was made possible by recent improvements in SFX data analysis and the design of injectors and delivery media for streaming hydrated microcrystals. This general method should accelerate structural studies of novel difficult-to-crystallize macromolecules and their complexes.

PubMed: 27679816
DOI: 10.1126/sciadv.1600292

Experimental method

X-RAY DIFFRACTION (2.5 Å)