X-Ray Diffraction data from C. elegans HTP-2 bound to HTP-3 motif-6, source of 4TZN structure

Native data for C. elegans HTP-2 bound to HTP-3 motif-6


X-Ray Diffraction data from C. elegans HTP-2 bound to HTP-3 closure motif 1, source of 4TZM structure

Native data for C. elegans HTP-2 bound to HTP-3 closure motif 1


X-Ray Diffraction data from C. elegans HTP-2 bound to HIM-3 closure motif, source of 4TZL structure

Native data for C. elegans HTP-2 bound to HIM-3 closure motif, P21 form


X-Ray Diffraction data from C. elegans HIM-3 bound to HTP-3 closure motif-4, source of 4TZJ structure

Native data for C. elegans HIM-3 bound to HTP-3 closure motif-4


X-Ray Diffraction data from Structure of B. abortus WrbA-related protein A (apo-WrpA), source of 5F51 structure

Native diffraction dataset of B. abortus WrpA protein


X-Ray Diffraction data from Brucella abortus WrbA-related protein A (WrpA), source of 5F4B structure

SeMet dataset


X-Ray Diffraction data from BOVINE TRYPSIN, source of 5F6M structure

Trypsin crystals were obtained according to the method of Liebschner et.al (Liebschner et al., 2013). Lyophilized bovine pancreas trypsin was purchased from Sigma-Aldrich (T1005) and dissolved at a concentration of 30 mg/mL into 30mM HEPES pH 7.0, 5 mg/mL benzamidine and 3mM CaCl2. Crystals were obtained from a solution of 200mM Ammonium sulfate, 100mM Na cacodylate pH 6.5, 20% PEG 8000 and 15% glycerol. Data collected for simultaneous Bragg and Diffuse Scattering processing.


X-Ray Diffraction data from the complex of human Atg101-Atg13 HORMA domain, source of 5C50 structure

Native dataset


X-Ray Diffraction data from the complex of human Atg101-Atg13 HORMA domain, source of 5C50 structure

NaBr soaked dataset


X-Ray Diffraction data from Mesorhizobium opportunistum ParD3 antitoxin bound to ParE3 toxin, source of 5CEG structure

Iodine SAD dataset collected at 12670 electron volts. Crystal diffraction was measured at a temperature of 100 K using a 1 degree oscillation range.


X-Ray Diffraction data from Brucella abortus RicA protein, source of 4N27 structure

Diffraction data from this crystal of B. abortus RicA were collected at a temperature of 100 K using a 1° oscillation range.


X-Ray Diffraction data from S. cerevisiae Hrr25:Mam1 complex, source of 5CZO structure

Native dataset for Hrr25:Mam1 complex, form 2


X-Ray Diffraction data from S. cerevisiae Hrr25:Mam1 complex, source of 5CYZ structure

Native diffraction data for S. cerevisiae Hrr25:Mam1, form 1


X-Ray Diffraction data from The extracellular domain of glycoprotein B from Human Cytomegalovirus, source of 5CXF structure

Native dataset



X-Ray Diffraction data from Prefusion-stabilized RSV F Ectodomain (SC-TM), source of 5C6B structure

Native dataset


X-Ray Diffraction data from Prefusion-stabilized RSV F Ectodomain (PR-DM), source of 5C69 structure

Native dataset


human O-GlcNAc transferase

MD trajectory. The coordinates of the OGT–UDP–peptide complex (PDB 3PE4) were optimized in the Protein Preparation Wizard (Schrodinger 2009) where hydrogens were added; water molecules, UDP and peptide were stripped; and the structure was minimized using the OPLS2001 forcefield. The 1-μm simulation used the CHARM27 forcefield46, and the simple point charge model for water47. The CHARM27 forcefield was applied to the system using the VIPARR utility. The default Desmond relaxation was performed before simulation, and molecular dynamics were run at constant temperature (300 K) and pressure (1 bar). The simulation was performed by using the program Desmond, version 2.2.9.1.030 compiled by SBGrid on an optimized 64-node Linux-based InfiniBand cluster and took 75 days to complete. Molecular dynamics trajectories were processed and animated with VMD48.


X-Ray Diffraction data from HSV-1 NEC, source of 4ZXS structure

Native dataset.


X-Ray Diffraction data from PRV NEC, source of 4Z3U structure

Soluble portion of pseudorabies virus nuclear egress complex.