( )
1980 1.54A 1.54A ( ) 1A 0.98A 2.29A ( )
2dsinθ = λ (2d hkl sinθ hkl = λ) ()? Bragg
2dsinθ = λ 2θ 1 d sinθ = λ 2d Bragg
2dsinθ = λ? Bragg?
2dsinθ = λ? λ 2 I t 3 λ 2 exp( µt) UW Arndt, J. Appl. Cryst. (1984) 17, 118-119 Blundel & Johnson λ 3 2 2
2dsinθ = λ? λ 3 µ aλ 3 a =0.22mm 1 Å 3 λ 3
λ 3 1A 2A 2 8
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, 118-119 ( ) 2 3 0.3mm
I t 3 λ 2 exp( µt) t =0.3mm (A ) Arndt, U.W., J. Appl. Cryst. (1984) 17, 118-119 3 0.3mm 2.16A 2A? ( )
?
(A ) ( ) < 0.7 0.7 ~ 3.0 ( ) > 3.0 2
(A ) ( ) < 0.7 0.7 ~ 1.5 1.5 ~ 3.0 ( ) > 3.0 softer longer wavelength softer longer wavelength
f X 2θ ( )
F hkl = n i=1 f i e 2πi(hx i+ky i +lz i ) i i
f sinθ/λ (Å 1 ) http://www.crl.nitech.ac.jp/~ida/education/structureanalysis/3/3.pdf y sinθ=0
ω 0 (ev) kev = 12.4/Å? XAFS ω0
( ) f = ω 2 (ω 2 ω 2 0 ) ikω λ = 2πc ω damping term 1 2 (?) ( ) ( ) ω ω0
( ) f (S,λ) = f 0 (S) + f (λ) + i f S (λ)
Im f f 0 Re 180 ( )
Im f if f 0 f Re ( )
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)
C N O S H?
6.2 3.1 2.0 1.55 1.24 1.03 0.89 A f 0 = 16 f f (ev) http://skuld.bmsc.washington.edu/scatter/ ( ) 16 f0 16 5.0155A (2.4720keV) 8( ) 4
2.07 1.55 1.24 1.03 0.89 A f 0 = 16 f f 1.54A (ev) http://skuld.bmsc.washington.edu/scatter/ Cu 1.54A
(S) Im f 16 0.3 1.54A 0.6 Re 1.54A 0.3 0.6 16
(S) Im 1.54A f Re
F anom F = 2N A N T f Z eff N A N T Z eff Hendrickson & Teeter, Nature (1981) 290, 107-113 ( ) NA NT Zeff Zeff 6.7 ( )
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
2.48 1.24 0.83 A F anom F (ev) ( ) 2%
2.07 1.55 1.24 1.03 0.89 A 1.54A F anom F (ev) (1.54A ) 0.8% 0.8%
short long (ev) (A )
1.54Å Cu Kα Ramagopal et al., Acta Cryst. (2003) D59, 1020. 1981 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... 1981 Hendrickson&Teeter crambin 1982 Wang Rhe Wnag Cu Kα 1.54A Cr 2.29A 1999 Dauter 1.54A 17 2000 BC Wang Obelin 1.74A 1.77 1.91 BC Wang 1985 Cr Kα (2.29A )
2.07 1.55 1.24 1.03 0.89 A 2.29A 1.54A F anom F (ev) (1.54A ) 0.8% Cu Cr 2.29A Cu Cr
(A ) F f anom F (%) Cu Kα 1.54 0.56 0.84 Cr Kα 2.29 1.14 1.7 Cu Cr ( )
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
short long
Cr K 2.29A Cr
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
Cr Kα F anom F 2004 2 2 Cr 2 3.5% 2.5%
PH1109 from Pyrococcus horikoshii 1.72% 3.5% 2.5%
PH1109 from Pyrococcus horikoshii
1mm
VV
0.5 mm 50% 50%
0.5 mm Kitago, Y., Watanabe, N. and Tanaka, I., Acta Cryst., D61, 1013-1021 (2005).
1mm
( )
0.5 mm Kitago, Y., Watanabe, N. and Tanaka, I., Acta Cryst., D61, 1013-1021 (2005).
Hypothetical protein PH1109 from Pyrococcus horikoshii
90%(69%
(1)
(2)
1/10 1/10
A4 1