TABLE 2.
Comparison of EXAFS fit results with crystallographic values
| HMP lipid-free
|
HMP lipid-bound
|
Met-Myoglobin
|
||||||
|---|---|---|---|---|---|---|---|---|
| Crystallo-graphic values (range)* | EXAFS distance/angle | EXAFS bond variance (Å2)/angle variance (°2) | EXAFS distance/angle | EXAFS bond variance (Å2)/angle variance (°2) | Crystallo-graphic values (range)† | EXAFS distance/angle | EXAFS bond variance (Å2)/angle variance (°2) | |
| Fe-Np | 1.96–2.04 Å | 2.03(1) Å | 0.008 | 2.02(1) Å | 0.009 | 2.02–2.05 Å | 2.03(1) Å | 0.004 |
| Fe-Nh | 2.09 Å | 2.11(2) Å | 0.006 | 2.12(2) Å | 0.006 | 2.13 Å | 2.13(1) Å | 0.004 |
| Fe-O | — | — | — | — | — | 2.13 Å | 2.17(2) Å | 0.010 |
| Fe-Caxial | 3.53–3.62 Å | 3.50(3) Å | 0.018 | 2.68(3) Å | 0.011 | — | — | — |
| Fe-Ch | 3.43–3.48 Å | 3.43(2) Å | 0.010 | 3.41(2) Å | 0.010 | 3.38–3.43 Å | 3.43(2) Å | 0.005 |
| N-C14 | 1.39–1.42 Å | 1.42(3) Å | 0.008 | 1.42(3) Å | 0.008 | 1.36–1.42 Å | 1.36(1) Å | 0.007 |
| C14-C23 | 1.46–1.48 Å | 1.43(3) Å | 0.011 | 1.41(4) Å | 0.011 | 1.41–1.48 Å | 1.39(4) Å | 0.010 |
| θ | 126–130° | 127(2)° | 4 | 127(2)° | 5 | 125–130° | 129(2)° | 4 |
| φ | 110–113° | 111(2)° | 28 | 113(2)° | 25 | 107–113° | 113(2)° | 18 |
| ψ | 168–179° | 174(2)° | 4 | 179(2)° | 4 | 172–178° | 178(2)° | 6 |
*
Data from the 1.6 Å resolution structure obtained in the present work.
†
Data from Yang and Phillips (1996).