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Table III.  Data collection and MIR phasing statistics


Data sets

NATI1 NATI2 Pb(OAc)2 Me3PbCl Double derivative GlcNAc

Resolution (Å) 28.4-2.0 20.3-2.2 20.4-2.4 20.9-2.8 24.6-2.2 15.2-2.0
Measurements 80 354 50 142 45 687 33 985 68 282 83 799
Unique measurements 24 455 16 641 12 986 8625 17 329 20 896
% Complete 98.0 (90.2) 94.7 (71.8) 95.1 (72.2) 99.6 (98.3) 98.5 (95.8) 93.7 (92.2)
(last shell/Å) (2.02-1.95) (2.27-2.19) (2.48-2.40) (2.90-2.80) (2.28-2.20) (2.03-2.43)
Mean I/Sig I 11.9 16.8 15.0 12.5 21.8 12.9
Rsym (%) last shell 7.2 (31.5) 8.5 (37.0) 9.9 (36.7) 10.6 (32.7) 7.6 (36.2) 7.4 (17.1)
Riso (%) - - 15.4 9.0 12.9 -
RCullis-iso - - 0.57 0.74 0.43 -
Piso - - 2.92 1.36 3.95 -
Residues for phase calculation (Å) - 20.0-2.2 20.0-2.5 20.0-3.0 20.0-2.2 -
Mean FOM - 0.57 - - - -

RsymSigma |I(h)i - <I(h)>|/Sigma <I(h)>
RisoSigma |FPH -FP|/Sigma FP
RCullis-iso = r.m.s. lack of closure/r.m.s isomorphous difference.
Piso (phasing power) = <|FH|>/r.m.s. lack of closure for all reflections.
Mean FOM, mean figure of merit; NATI1, native data set used for final refinement of tachylectin-2 model; NATI2, native data set used for MIR phasing and initial model building.

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