解像度: 3.11→56.08 Å / Cor.coef. Fo:Fc: 0.9033 / Cor.coef. Fo:Fc free: 0.8652 / SU R Cruickshank DPI: 1.575 / 交差検証法: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 1.717 / SU Rfree Blow DPI: 0.339 / SU Rfree Cruickshank DPI: 0.344 詳細: IDEAL-DIST CONTACT TERM CONTACT SETUP. ALL ATOMS HAVE CCP4 ATOM TYPE FROM LIBRARY
Rfactor
反射数
%反射
Selection details
Rfree
0.226
384
4.63 %
RANDOM
Rwork
0.1937
-
-
-
obs
0.1951
8291
99.98 %
-
原子変位パラメータ
Biso mean: 86.28 Å2
Baniso -1
Baniso -2
Baniso -3
1-
26.1559 Å2
0 Å2
0 Å2
2-
-
6.1735 Å2
0 Å2
3-
-
-
-32.3294 Å2
精密化ステップ
サイクル: LAST / 解像度: 3.11→56.08 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1960
0
37
3
2000
拘束条件
Refine-ID
タイプ
Dev ideal
数
Restraint function
Weight
X-RAY DIFFRACTION
t_bond_d
0.01
2041
HARMONIC
2
X-RAY DIFFRACTION
t_angle_deg
1.2
2771
HARMONIC
2
X-RAY DIFFRACTION
t_dihedral_angle_d
677
SINUSOIDAL
2
X-RAY DIFFRACTION
t_incorr_chiral_ct
X-RAY DIFFRACTION
t_pseud_angle
X-RAY DIFFRACTION
t_trig_c_planes
51
HARMONIC
2
X-RAY DIFFRACTION
t_gen_planes
308
HARMONIC
5
X-RAY DIFFRACTION
t_it
2041
HARMONIC
20
X-RAY DIFFRACTION
t_nbd
X-RAY DIFFRACTION
t_omega_torsion
2.51
X-RAY DIFFRACTION
t_other_torsion
21
X-RAY DIFFRACTION
t_improper_torsion
X-RAY DIFFRACTION
t_chiral_improper_torsion
276
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
2375
SEMIHARMONIC
4
LS精密化 シェル
解像度: 3.11→3.48 Å / Total num. of bins used: 5
Rfactor
反射数
%反射
Rfree
0.2244
106
4.56 %
Rwork
0.2096
2221
-
all
0.2103
2327
-
obs
-
-
99.98 %
精密化 TLS
手法: refined / Origin x: 4.9296 Å / Origin y: 32.2326 Å / Origin z: 16.6268 Å