HADDOCK membrane protein-protein complex models

Decoys of a membrane protein complex docking benchmark. The decoys were obtained after docking with the HADDOCK webserver (v2.2) and they belong in two sets which reflect two extreme docking scenarios. One where we would have no information about the nature of the interaction and we use random restraints to drive the docking, and one where we use restraints extracted from the interface of the native complex to drive the docking. We have generated 50800 structures for the first scenario, distributed in three stages: 50000, 400 and 400 for the rigid-body, simulated annealing and flexible refinement stages respectively. We have generated 10800 structures for the second scenario distributed in three stages: 10000, 400 and 400 for the rigid-body, simulated annealing and flexible refinement stages respectively.


X-Ray Diffraction data from Glucosamine kinase, source of 6HWL structure

X-Ray Diffraction data from S. jiangxiensis GlcNK, source of 6HWL structure


X-Ray Diffraction data from Glucosamine kinase, source of 6HWK structure

X-Ray Diffraction data from S. jiangxiensis GlcNK, source of 6HWK structure


X-Ray Diffraction data from Glucosamine kinase, source of 6HWJ structure

X-Ray Diffraction data from S. jiangxiensis GlcNK, source of 6HWJ structure


X-Ray Diffraction data from C. glabrata Csm1:S. cerevisiae Dsn1(71-110) complex, source of 6MJE structure

Native dataset for C. glabrata Csm1:S. cerevisiae Dsn1(71-110) complex


X-Ray Diffraction data from Candida glabrata Csm1:Dsn(43-67DD) complex, source of 6MJC structure

Native dataset for Candida glabrata Csm1:Dsn(43-67DD) complex


X-Ray Diffraction data from Candida glabrata Csm1:Dsn1(14-72) complex, source of 6MJB structure

Native dataset for Candida glabrata Csm1:Dsn1(14-72) complex


X-Ray Diffraction data from Candida glabrata Csm1:Mam1 complex, source of 6MJ8 structure

Two native datasets from different crystals, which were indexed separately then scaled together to give the final dataset for refinement.


X-Ray Diffraction data from Methyltransferase, source of structure

X-Ray Diffraction data from M. hassiacum MeT1. P3121 low resolution native.


X-Ray Diffraction data from Methyltransferase, source of structure

X-Ray Diffraction data from M. hassiacum MeT1. MAD dataset, inflection point of Pb.


X-Ray Diffraction data from Methyltransferase, source of structure

X-Ray Diffraction data from M. hassiacum MeT1. MAD dataset, peak of Pb.


X-Ray Diffraction data from Methyltransferase, source of 6G80 structure

X-Ray Diffraction data from M. hassiacum MeT1, source of 6G80 structure


X-Ray Diffraction data from Methyltransferase, source of 6G7D structure

X-Ray Diffraction data from M. hassiacum MeT1, source of 6G7D structure


X-Ray Diffraction data from Methyltransferase, source of 6H40 structure

X-Ray Diffraction data from M. hassiacum MeT1, source of 6H40 structure


X-Ray Diffraction data from human DNA primase Fe-S subunit residues 266-457, source of 6DHW structure

Native dataset


X-Ray Diffraction data from neoleukin-2/15 complex with IL-2R beta and gamma receptors, source of 6DG5 structure

native dataset, highly anisotropic


X-Ray Diffraction data from neoleukin-2/15, source of 6DG6 structure

native dataset


X-Ray Diffraction data from Eremothecium gossypii Shu1:Shu2 complex, source of 6DEX structure

Zinc-anomalous SAD dataset for Eremothecium gossypii Shu1:Shu2 complex


X-Ray Diffraction data from S. cerevisiae Csm1-Dse3 complex, source of 6DEI structure

Single-wavelength dataset for S. cerevisiae Csm1-Dse3 complex


X-Ray Diffraction data from M. musculus SYCP3 residues 105-248, source of 6DD9 structure

Selenomethionine SAD dataset for M. musculus SYCP3 105-248, P1 crystal form