Table 1

Data collection and isomorphous replacement

DerivativeResolution limit, ÅTotal observationsUnique observationsCompleteness, %Rsym, %Riso, %Phasing power
Native3.0136,95321,52991.97.0
U3.225,98116,11989.511.918.10.31
PT13.765,46411,69298.212.022.61.54
PT24.053,8706,29366.913.313.81.77
PT33.485,22614,15592.810.517.11.16
PT42.6387,92527,48790.65.735.50.67
PT52.7358,69524,54388.76.136.20.83
PTU3.579,62911,43782.49.424.71.54
PB3.578,19011,33692.911.512.80.41
PBPT3.494,55714,12991.68.019.61.04
OS2.8600,10824,02691.25.338.41.82
Overall figure of merit (15.0–3.0 Å): 0.73
  • Heavy-atom derivatives were prepared by soaking the crystals in low-salt buffer containing the heavy atom as follows: U, 0.5 mM uranyl acatate for 2 h; PT1, 5 mM K2PtCl4 for 1 d, PT2, 5 mM K2PtCl6 for 2 d; PT3, saturated cis-dichlorodipyridine-Pt(II) for 2 d; PT4, 5 mM K2PtCl6 for 7 d; PT5, saturated cis-dichlorodipyridine-Pt(II) for 7 d; PTU, PT1 + U; PB, saturated dinitrophenyl-Pb(NO3)2 for 7 d; PBPT, PB + PT5; OS, saturated K2OsO4 for 7 d. NAT1, PT1, PT2, PT3, PTU, PB and PBPT were collected with a Mar imaging plate and U was collected with a Bruker AXS area detector on a Rigaku rotating anode source. All other data sets were collected with a Mar charge-coupled device at beamline BW6 at DESY, Hamburg.