Table 2.

Identity and estimated abundance of MutS nucleotide states upon addition of ATP and AMP.PNP in the absence and presence of mismatched DNA

		MutS without DNA				MutS with mismatched DNA
		ATP	AMP.PNP	AMP.PNP		ATP	AMP.PNP
		16 uM	2 uM	8 uM		16 uM	16 uM
Nucleotide state	State in Figure 4	Abundance of this state (%)			State in Figure 4	Abundance of this state (%)
Empty	Ia	13 ± 6	10	2	IIa	20 ± 3	21 ± 6
1 ADP	Ib	26 ± 4	~32a	0	IIb	58 ± 3	0
2 ADP	Ic	61 ± 9	0	0	IIc	22 ± 4	0
Mixed	Id	0	47	0	IId	0	17 ± 6
1 AMP.PNP	Ie	–	~11a	14	IIe	–	62 ± 4
2 AMP.PNP	If	–	0	84	IIf	–	0

We considered different groups of spectra (16 µM ATP, 2 µM and 8 µM AMP.PNP added to MutS; 16 µm ATP and 16 µM AMP.PNP and mismatched DNA added to MutS) and report the abundances (in percentages) of the different states as in Figure 3C grouped by identity of the nucleotide. Reported numbers are derived from a single charge state (the 28⁺ ion) which gives a good approximation of the nucleotide abundances of the complete dimer envelop. States are numbered as in Figure 4. The mixed nucleotide state contains one ADP and one AMP.PNP cofactor simultaneously.

^aThe species carrying a single nucleotide upon addition of 2 µM AMP.PNP has an abundance of 43% but is a mixture carrying either 1 ADP (state Ib, estimated abundance 32%) or 1 AMP.PNP (state Ie, estimated abundance 11%). (–) is not relevant in this experiment.