X-ray data collection and refinement statistics for PrTX-I/RA.

aNumbers in parenthesis are for the highest resolution shell.bRmerge = Σhkl(Σi(|Ihkl,i−hkl >|))/Σhkl,i hkl>, where Ihkl,i is the intensity of an individual measurement of the reflection with Miller indices h, k and l, and hkl> is the mean intensity of that reflection. Calculated for I>−3σ (I).cRcryst = ∑hkl(∥Fobshkl|-|Fcalchkl∥)/|Fobshkl|, where |Fobshkl| and |Fcalchkl| are the observed and calculated structure factor amplitudes.dRfree is equivalent to Rcryst but calculated with reflections (5%) omitted from the refinement process.eCalculated with the program REFMAC [67].fCalculated with the program PROCHECK [69].