FOR BETA-TUBULIN, THERE ARE THREE MAJOR ISOTYPES EXPRESSED IN THE BRAIN (BANERJEE AT AL, JBC 1988, ...FOR BETA-TUBULIN, THERE ARE THREE MAJOR ISOTYPES EXPRESSED IN THE BRAIN (BANERJEE AT AL, JBC 1988, VOL 263:3029-34). THE BETA 2B ISOTYPE SEQUENCE WAS USED BUT POINT MUTATIONS WERE INTRODUCED WHEN POSSIBLE TO TAKE THE ISOTYPE DIVERSITY INTO ACCOUNT.
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実験情報
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実験
実験
手法: X線回折 / 使用した結晶の数: 1
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試料調製
結晶
マシュー密度: 2.69 Å3/Da / 溶媒含有率: 54.36 %
結晶化
温度: 293 K / 手法: 蒸気拡散法, ハンギングドロップ法 / 詳細: 40 mM Pipes-K pH 6.8 4% PEG3350
解像度: 3.19→42.91 Å / Cor.coef. Fo:Fc: 0.909 / Cor.coef. Fo:Fc free: 0.874 / 交差検証法: THROUGHOUT / σ(F): 0 / SU Rfree Blow DPI: 0.666 詳細: THE DEBYE AND STARANISO PROGAMS DEVELOPPED BY GLOBAL PHASING LTD. WERE APPLIED TO THE AIMLESS SCALED DATA WITHOUT TRUNCATION OF THE RESOLUTION. THESE CORRECTED ANISOTROPIC AMPLITUDES WERE ...詳細: THE DEBYE AND STARANISO PROGAMS DEVELOPPED BY GLOBAL PHASING LTD. WERE APPLIED TO THE AIMLESS SCALED DATA WITHOUT TRUNCATION OF THE RESOLUTION. THESE CORRECTED ANISOTROPIC AMPLITUDES WERE USED FOR FURTHER CYCLES OF REFINEMENTS WITH BUSTER.
Rfactor
反射数
%反射
Selection details
Rfree
0.257
1009
5.07 %
RANDOM
Rwork
0.211
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obs
0.213
19903
66.3 %
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原子変位パラメータ
Biso mean: 104.06 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-7.1419 Å2
0 Å2
0 Å2
2-
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10.4242 Å2
0 Å2
3-
-
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-3.2823 Å2
Refine analyze
Luzzati coordinate error obs: 0.48 Å
精密化ステップ
サイクル: 1 / 解像度: 3.19→42.91 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
10299
0
122
0
10421
拘束条件
Refine-ID
タイプ
Dev ideal
数
Restraint function
Weight
X-RAY DIFFRACTION
t_bond_d
0.01
10635
HARMONIC
2
X-RAY DIFFRACTION
t_angle_deg
1.1
14426
HARMONIC
2
X-RAY DIFFRACTION
t_dihedral_angle_d
3692
SINUSOIDAL
2
X-RAY DIFFRACTION
t_incorr_chiral_ct
X-RAY DIFFRACTION
t_pseud_angle
X-RAY DIFFRACTION
t_trig_c_planes
268
HARMONIC
2
X-RAY DIFFRACTION
t_gen_planes
1606
HARMONIC
5
X-RAY DIFFRACTION
t_it
10635
HARMONIC
20
X-RAY DIFFRACTION
t_nbd
2
SEMIHARMONIC
5
X-RAY DIFFRACTION
t_omega_torsion
3
X-RAY DIFFRACTION
t_other_torsion
18.14
X-RAY DIFFRACTION
t_improper_torsion
X-RAY DIFFRACTION
t_chiral_improper_torsion
1393
SEMIHARMONIC
5
X-RAY DIFFRACTION
t_sum_occupancies
X-RAY DIFFRACTION
t_utility_distance
X-RAY DIFFRACTION
t_utility_angle
X-RAY DIFFRACTION
t_utility_torsion
X-RAY DIFFRACTION
t_ideal_dist_contact
12613
SEMIHARMONIC
4
LS精密化 シェル
解像度: 3.19→3.36 Å / Rfactor Rfree error: 0 / Total num. of bins used: 10