三木研授業2009.key

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1 ( )

2 A 1.54A ( ) 1A 0.98A 2.29A ( )

3 2dsinθ = λ (2d hkl sinθ hkl = λ) ()? Bragg

4 2dsinθ = λ 2θ 1 d sinθ = λ 2d Bragg

5 2dsinθ = λ? Bragg?

6 2dsinθ = λ? λ 2 I t 3 λ 2 exp( µt) UW Arndt, J. Appl. Cryst. (1984) 17, Blundel & Johnson λ 3 2 2

7 2dsinθ = λ? λ 3 µ aλ 3 a =0.22mm 1 Å 3 λ 3

8 λ 3 1A 2A 2 8

9 I t 3 λ 2 exp( µt) λ = 3 2 3at a =0.22mm 1 Å 3 Arndt, U.W., J. Appl. Cryst. (1984) 17, ( ) mm

10 I t 3 λ 2 exp( µt) t =0.3mm (A ) Arndt, U.W., J. Appl. Cryst. (1984) 17, mm 2.16A 2A? ( )

11 ?

12 (A ) ( ) < ~ 3.0 ( ) > 3.0 2

13 (A ) ( ) < ~ ~ 3.0 ( ) > 3.0 softer longer wavelength softer longer wavelength

14 f X 2θ ( )

15 F hkl = n i=1 f i e 2πi(hx i+ky i +lz i ) i i

16 f sinθ/λ (Å 1 ) y sinθ=0

17 ω 0 (ev) kev = 12.4/Å? XAFS ω0

18 ( ) f = ω 2 (ω 2 ω 2 0 ) ikω λ = 2πc ω damping term 1 2 (?) ( ) ( ) ω ω0

19 ( ) f (S,λ) = f 0 (S) + f (λ) + i f S (λ)

20 Im f f 0 Re 180 ( )

21 Im f if f 0 f Re ( )

22 F hkl = n i=1 f i e 2πi(hx i+ky i +lz i ) f (S,λ) = f 0 (S) + f (λ) + i f (λ)

23 C N O S H?

24 A f 0 = 16 f f (ev) ( ) 16 f A (2.4720keV) 8( ) 4

25 A f 0 = 16 f f 1.54A (ev) Cu 1.54A

26 (S) Im f A 0.6 Re 1.54A

27 (S) Im 1.54A f Re

28 F anom F = 2N A N T f Z eff N A N T Z eff Hendrickson & Teeter, Nature (1981) 290, ( ) NA NT Zeff Zeff 6.7 ( )

29 F anom F = 2N A N T f Z eff KVFGRCELAA AMKRHGLDNY RGYSLGNWVC AAKFESNFNT QATNRNTDGS TDYGILQIDS RWWCNDGRTP GSRNLCNIPC SALLSSDITA SVNCAKKIVS DGNGMNAWVA WRNRCKGTDV QAWIRGCRL NA NT NA 10 NT 1957

30 A F anom F (ev) ( ) 2%

31 A 1.54A F anom F (ev) (1.54A ) 0.8% 0.8%

32 short long (ev) (A )

33 1.54Å Cu Kα Ramagopal et al., Acta Cryst. (2003) D59, Crambin 6S/344 Hendrickson & Teeter 1982 Rhe 2S/833 Wang (1985 ) 1.54Å 1999 Lysozyme 10S+7Cl/1001 Dauter et al. 1.74Å 2000 Obelin 8S/3043 Liu et al. 1.77, 1.91Å Hendrickson&Teeter crambin 1982 Wang Rhe Wnag Cu Kα 1.54A Cr 2.29A 1999 Dauter 1.54A BC Wang Obelin 1.74A BC Wang 1985 Cr Kα (2.29A )

34 A 2.29A 1.54A F anom F (ev) (1.54A ) 0.8% Cu Cr 2.29A Cu Cr

35 (A ) F f anom F (%) Cu Kα Cr Kα Cu Cr ( )

36 F anom F with 1.54Å with 2.29Å calculated for the Chromosome I of C. elegans C elegans 1 Cu 1.54A Cr 2.29A 1% 2.29Å

37 short long

38 Cr K 2.29A Cr

39 Cr/Cu Kα Rigaku FR-E Super Bright Cr Cu Osmic CMF Cr or RED for Cu Cr or Cu Kα Cu Kα R-AXIS VII 2kW, 60kV Cu: 45kV 45mA Cr: 40kV 40mA Cr Cr Cu 2

40 Cr Kα F anom F Cr 2 3.5% 2.5%

41 PH1109 from Pyrococcus horikoshii 1.72% 3.5% 2.5%

42 PH1109 from Pyrococcus horikoshii

43 1mm

44 VV

45

46

47 0.5 mm 50% 50%

48 0.5 mm Kitago, Y., Watanabe, N. and Tanaka, I., Acta Cryst., D61, (2005).

49 1mm

50 ( )

51 0.5 mm Kitago, Y., Watanabe, N. and Tanaka, I., Acta Cryst., D61, (2005).

52

53 Hypothetical protein PH1109 from Pyrococcus horikoshii

54 90%(69%

55

56

57

58

59 (1)

60 (2)

61 1/10 1/10

62

63 A4 1

( ) e + e ( ) ( ) e + e () ( ) e e Τ ( ) e e ( ) ( ) () () ( ) ( ) ( ) ( )

( ) e + e ( ) ( ) e + e () ( ) e e Τ ( ) e e ( ) ( ) () () ( ) ( ) ( ) ( ) n n (n) (n) (n) (n) n n ( n) n n n n n en1, en ( n) nen1 + nen nen1, nen ( ) e + e ( ) ( ) e + e () ( ) e e Τ ( ) e e ( ) ( ) () () ( ) ( ) ( ) ( ) ( n) Τ n n n ( n) n + n ( n) (n) n + n n n n n n n n

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