6GTH

Serial Femtosecond Crystallography at Megahertz pulse rates

Summary for 6GTH

DescriptorBeta-lactamase, (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide (3 entities in total)
Functional Keywordsser-beta-lactamase, inhibitor, complex, avibactam, antibiotic
Biological sourceKlebsiella pneumoniae
Total number of polymer chains1
Total molecular weight27925.41
Authors
Wiedorn, M.,Oberthuer, D.,Werner, N.,Schubert, R.,White, T.A.,Mancuso, A.,Perbandt, M.,Betzel, C.,Barty, A.,Chapman, H. (deposition date: 2018-06-18, release date: 2018-10-10, Last modification date: 2018-11-14)
Primary citation
Wiedorn, M.O.,Oberthur, D.,Bean, R.,Schubert, R.,Werner, N.,Abbey, B.,Aepfelbacher, M.,Adriano, L.,Allahgholi, A.,Al-Qudami, N.,Andreasson, J.,Aplin, S.,Awel, S.,Ayyer, K.,Bajt, S.,Barak, I.,Bari, S.,Bielecki, J.,Botha, S.,Boukhelef, D.,Brehm, W.,Brockhauser, S.,Cheviakov, I.,Coleman, M.A.,Cruz-Mazo, F.,Danilevski, C.,Darmanin, C.,Doak, R.B.,Domaracky, M.,Dorner, K.,Du, Y.,Fangohr, H.,Fleckenstein, H.,Frank, M.,Fromme, P.,Ganan-Calvo, A.M.,Gevorkov, Y.,Giewekemeyer, K.,Ginn, H.M.,Graafsma, H.,Graceffa, R.,Greiffenberg, D.,Gumprecht, L.,Gottlicher, P.,Hajdu, J.,Hauf, S.,Heymann, M.,Holmes, S.,Horke, D.A.,Hunter, M.S.,Imlau, S.,Kaukher, A.,Kim, Y.,Klyuev, A.,Knoska, J.,Kobe, B.,Kuhn, M.,Kupitz, C.,Kupper, J.,Lahey-Rudolph, J.M.,Laurus, T.,Le Cong, K.,Letrun, R.,Xavier, P.L.,Maia, L.,Maia, F.R.N.C.,Mariani, V.,Messerschmidt, M.,Metz, M.,Mezza, D.,Michelat, T.,Mills, G.,Monteiro, D.C.F.,Morgan, A.,Muhlig, K.,Munke, A.,Munnich, A.,Nette, J.,Nugent, K.A.,Nuguid, T.,Orville, A.M.,Pandey, S.,Pena, G.,Villanueva-Perez, P.,Poehlsen, J.,Previtali, G.,Redecke, L.,Riekehr, W.M.,Rohde, H.,Round, A.,Safenreiter, T.,Sarrou, I.,Sato, T.,Schmidt, M.,Schmitt, B.,Schonherr, R.,Schulz, J.,Sellberg, J.A.,Seibert, M.M.,Seuring, C.,Shelby, M.L.,Shoeman, R.L.,Sikorski, M.,Silenzi, A.,Stan, C.A.,Shi, X.,Stern, S.,Sztuk-Dambietz, J.,Szuba, J.,Tolstikova, A.,Trebbin, M.,Trunk, U.,Vagovic, P.,Ve, T.,Weinhausen, B.,White, T.A.,Wrona, K.,Xu, C.,Yefanov, O.,Zatsepin, N.,Zhang, J.,Perbandt, M.,Mancuso, A.P.,Betzel, C.,Chapman, H.,Barty, A.
Megahertz serial crystallography.
Nat Commun, 9:4025-4025, 2018
PubMed: 30279492 (PDB entries with the same primary citation)
DOI: 10.1038/s41467-018-06156-7
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.69 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2132 0.8% 1.5% 6.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6gth
no rotation
Molmil generated image of 6gth
rotated about x axis by 90°
Molmil generated image of 6gth
rotated about y axis by 90°