autoXDS: a script for “real-time” data processing and structural solution Provide quick feedback to data collection experiments. Single script with simple command line specifying Location of diffraction images Protein sequence file Exploits parallel data processing features built into XDS Divide dataset into segments Process each segment in parallel via a batch queuing system (LSF). Uses robust and reliable programs for structure solution SHELX, autoSHARP, RESOLVE and wARP Execute structure solution steps in parallel e.g. search for heavy atom sites in multiple space-groups. Processed data meets JCSG QC guidelines and can be directly uploaded to STSS.

Real-time structure solution: PC05995D Steps Time (s) Laue group 408 Integration 660 Scale 32 MAD scale 111 SHELX 642 1.5s SHELXE map CC to final model = 0.73, (<phi>=51) Phases improved with autoSHARP CC to final model = 0.85, (<phi>=36) 191 aa traced in wARP. Structure solved in 30 minutes p41212, 1 molecule/asu 3 SeMET, 207 residues