2022-03-30RELPDBePDBePDBe2019-06-052019-06-122020-02-052022-03-30National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM082251United StatesThe Francis Crick InstituteFC001061United KingdomSIVrcm intasome in complex with bictegravirCherepanov PNans ACook NCook NJLi WBerta DBadaoui MBallandras-Colas ANans AKotecha ARosta EEngelman ANCherepanov PStructural basis of second-generation HIV integrase inhibitor action and viral resistance.ScienceUS367806810202032001525doi:10.1126/science.aay49191095-92030038SCIEASEMD-10042associated EM volumeSIVrcm intasome in complex with bictegravir6rwmFULLOVERLAPSIVrcm intasome in complex with bictegravirSIVrcm intasome in complex with bictegravir0123Pol Protein11Simian immunodeficiency virusEscherichia coliDNA123Simian immunodeficiency virussynthetic constructPol proteinSimian immunodeficiency virus0.032732182SIVrcm integrase, S119D12Escherichia coliLEVOGFLDGIEKAQEEHEKYHNNWRAMAEDFQIPQVVAKEIVAQCPKCQVKGEAMHGQVDASPKTWQMDCTHLEGKVIIVAVHV
ASGYIEAEVLPAETGKETAHFLLKLAARWPVKHLHTDNGDNFTSSAVQAVCWWAQIEHTFGVPYNPQSQGVVESMNHQLK
TIITQIRDQAEKIETAVQMAVLIHNFKRKGGIGGYSAGERIIDIIASDLQTTKLQNQISKIQNFRVYFREGRDQQWKGPA
TLIWKGEGAVVIQDGQDLKVVPRRKCKIIKDYGRKDVDSETSMEGRQEKDDNA (5'-D(P*GP*CP*TP*AP*AP*GP*AP*AP*AP*AP*AP*TP*CP*TP*CP*TP*AP*CP*CP*A)-3')Simian immunodeficiency virus0.0092239952(DG)(DT)(DT)(DC)(DT)(DA)(DG)(DA)(DA)(DG)(DG)(DC)(DT)(DA)(DA)(DG)(DA)(DA)(DA)(DA)
(DA)(DT)(DC)(DT)(DC)(DT)(DA)(DC)(DC)(DA)DNADNA (5'-D(*AP*AP*CP*TP*GP*GP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*TP*CP*TP*TP*AP*GP*C)-3')Simian immunodeficiency virus0.0101345409999999992(DA)(DA)(DC)(DT)(DG)(DG)(DT)(DA)(DG)(DA)(DG)(DA)(DT)(DT)(DT)(DT)(DT)(DC)(DT)(DT)
(DA)(DG)(DC)(DC)(DT)(DT)(DC)(DT)(DA)(DG)(DA)(DA)(DC)DNAZINC ION6.5409e-058ZNMAGNESIUM ION2.4305e-054MGBictegravir0.000449382KLQCHLORIDE ION3.5453e-052CLwater1.8015e-05108HOHsingleParticleparticle7.00.35NaClsodium chloride0.025Hepes4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid0.005MgSO4magnesium sulfateC-flat-1.2/1.3 4CGOLD400CARBONHOLEYno pretreatmentETHANE95295FEI VITROBOT MARK IVFEI TITAN KRIOSFLOOD BEAMBRIGHT FIELDFIELD EMISSION GUN3002.71.63.5FEI TITAN KRIOS AUTOGRID HOLDERNITROGENGATAN K2 SUMMIT (4k x 4k)COUNTING1-4021176955.71Gctf1.06per-particle estimationab initio, as implemented in CryoSPARCC2FOURIER SPACE2.81FSC 0.143 CUT-OFFcryoSPARC2Non-uniform refinement as implemented in CryoSPARC149778RANDOM ASSIGNMENTcryoSPARCMAXIMUM LIKELIHOODcryoSPARC12RELION2.12B4J1EX41K6YRIGID BODY FITREALemd_10042_msk_1.mapemd_10042_additional_2.map.gz1IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)
408
408408
0
00408408408440.64440.64440.6490.090.090.0XYZ-0.536970141.65828410.000745863250.032599981.081.081.08Locally filtered autosharpened CryoSPARC mapemd_10042_additional_1.map.gz1IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)
408
408408
0
00408408408440.64440.64440.6490.090.090.0XYZ-1.32231622.91026140.000745759640.046732121.081.081.08Unsharpened CryoSPARC mapemd_10042_half_map_1.map.gz1IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)
408
408408
0
00408408408440.64440.64440.6490.090.090.0XYZ-0.708879351.94604180.00106426320.094087251.081.081.08Half map Bemd_10042_half_map_2.map.gz1IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)
408
408408
0
00408408408440.64440.64440.6490.090.090.0XYZ-0.74449761.9717150.00106275550.09412741.081.081.08Half map A