Table 1.

Data Collection and Phasing Statistics

Data Set		Space Group	Resolution (Å)	Reflections Measured/Unique	Complete (%)	Rsyma (%)	MFIDb (%)	|Fh|/|E|c
ligand	derivative
adenosine	none	P3(1)21	25.82 - 1.90	50,474 / 9,074	84	3	reference
adenosine	TMLA d	P3(1)21	20.85 - 3.00	8,581 / 1,899	72	5	20	1.7
adenosine	MA e	P3(1)21	17.15 - 3.38	7,560 / 1,770	94	9	23	1.1
adenosine	DMA f	P3(1)21	25.82 - 3.00	8,520 / 2,621	98	6	12	1.3
GMP	none	P3(1)21	27.74 - 2.10	49,822 / 7,463	99	3	n/a	n/a
8-Br-AMP	none	P4(3)2(1)2	35.13 - 2.31	45,935 / 5,578	98	5	n/a	n/a
none	none	P4(3)2(1)2	35.14 - 2.15	42,366 / 6,302	90	5	n/a	n/a

^aRsym = ∑ |I − Iavg| ÷ ∑I. I = intensity.

^bMFID (Mean Fractional Isomorphous Difference) = ∑ |Fph − Fp| ÷ ∑ Fp. Fph = structure factor from derivative data set, Fp = structure factor from adenosine data set.

^cFh = calculated structure factor of heavy atom. E = residual lack of closure error⁴⁴.

^dTMLA = trimethyllead acetate.

^eMA = mercuric acetate.

^fDMA = dimercuric acetate.