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Bond Distances That Gave the Closest Match between Calculated and Experimental KIEs
| 1′C–OPA bond distance | 1′-14C KIE calculated | 1′-14C KIE experimental | 1′-3H KIE calculated | 1′-3H KIE experimental | |
|---|---|---|---|---|---|
| LlaATP-PRT | 2.12 Å | 1.031 | 1.031 ± 0.001 | 1.227 | 1.147 ± 0.008 |
| CjeATP-PRT | 2.14 Å | 1.029 | 1.029 ± 0.001 | 1.236 | 1.212 ± 0.002 |
| MtuATP-PRT | 2.15 Å | 1.028 | 1.028 ± 0.002 | 1.240 | 1.250 ± 0.008 |
