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. 2002 May 25;267(4):865–880. doi: 10.1006/jmbi.1997.0922

Table 1.

Data collection and phasing statistics for the head-binding domain

Parameters Native TEMEa UOACb UOTEc
Total observations 48,766 64,266 33,849 35,960
Unique reflections 20,822 28,937 18,290 18,811
Resolution (Å) 2.6 2.3 2.7 2.7
Completeness (%)d 96.5/72.2 95.4/82.9 94.7/84.0 97.4/86.5
Rmerge (%)e 7.6/29.8 5.6/17.4 8.2/32.1 9.8/28.4
Riso (25–3.0 Å)f 0.21 0.21 0.25
Heavy atom sites 6 9 7
RCullisg 0.62/0.69 0.93/0.92 0.65/0.71
Phasing powerh 2.16/1.41 2.0/1.29 0.61/0.45
a

Met(Te)-crystal.

b

15 mM of UO2-acetate, one day.

c

15 mM of UO2-acetate in Met(Te)-crystal, one day.

d

25–2.60/2.60–2.65 Å for Native; 25–2.3/2.30–2.35 Å for TEME; 25–2.8/2.8–2.9 Å for UOAC and UOTE.

e

Rmerge =∑hi|I(h, i)| − |〈I(h)〉|/∑hiI(h, i), where I(h, i) is the intensity value of the ith measurement of h and 〈I(h)〉 is the corresponding mean value of h for all I measurements of h: the summation is over all measurements.

f

Riso =∑|FPH2F|/∑(FPH2FP2), where FPH and FP are the derivative and the native structure factor amplitudes, respectively.

g

RCullis =∑hkl|FPH ± Fp| − FH(calc.)|/∑hkl|FPH ± FP|

h

FH/residual; rms mean heavy-atom contribution/ rms residual, defined as [(FPHC2FPH2 −)2/n]1/2 with the sum over all reflections, where FPHC is the calculated structure factor and FPH is the structure factor amplitude of the heavy-atom derivative, respectively.