解像度: 1.81→35.47 Å / Cor.coef. Fo:Fc: 0.9434 / Cor.coef. Fo:Fc free: 0.9439 / SU R Cruickshank DPI: 0.104 / 交差検証法: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.118 / SU Rfree Blow DPI: 0.099 / SU Rfree Cruickshank DPI: 0.092 詳細: IDEAL-DIST CONTACT TERM CONTACT SETUP. RESIDUE TYPES WITHOUT CCP4 ATOM TYPE IN LIBRARY=CA. NUMBER OF ATOMS WITH PROPER CCP4 ATOM TYPE=997. NUMBER WITH APPROX DEFAULT CCP4 ATOM TYPE=0. NUMBER ...詳細: IDEAL-DIST CONTACT TERM CONTACT SETUP. RESIDUE TYPES WITHOUT CCP4 ATOM TYPE IN LIBRARY=CA. NUMBER OF ATOMS WITH PROPER CCP4 ATOM TYPE=997. NUMBER WITH APPROX DEFAULT CCP4 ATOM TYPE=0. NUMBER TREATED BY BAD NON-BONDED CONTACTS=1.
Rfactor
反射数
%反射
Selection details
Rfree
0.1894
693
5 %
RANDOM
Rwork
0.182
-
-
-
obs
0.1824
13859
99.44 %
-
原子変位パラメータ
Biso mean: 23.86 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.6273 Å2
0 Å2
0 Å2
2-
-
-1.6273 Å2
0 Å2
3-
-
-
3.2545 Å2
Refine analyze
Luzzati coordinate error obs: 0.203 Å
精密化ステップ
サイクル: LAST / 解像度: 1.81→35.47 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
833
0
1
164
998
拘束条件
Refine-ID
タイプ
Dev ideal
数
Restraint function
Weight
X-RAY DIFFRACTION
t_bond_d
0.008
850
HARMONIC
2
X-RAY DIFFRACTION
t_angle_deg
0.98
1139
HARMONIC
2
X-RAY DIFFRACTION
t_dihedral_angle_d
310
SINUSOIDAL
2
X-RAY DIFFRACTION
t_incorr_chiral_ct
X-RAY DIFFRACTION
t_pseud_angle
X-RAY DIFFRACTION
t_trig_c_planes
25
HARMONIC
2
X-RAY DIFFRACTION
t_gen_planes
118
HARMONIC
5
X-RAY DIFFRACTION
t_it
850
HARMONIC
20
X-RAY DIFFRACTION
t_nbd
0
SEMIHARMONIC
5
X-RAY DIFFRACTION
t_omega_torsion
3.08
X-RAY DIFFRACTION
t_other_torsion
16.62
X-RAY DIFFRACTION
t_improper_torsion
X-RAY DIFFRACTION
t_chiral_improper_torsion
107
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
1104
SEMIHARMONIC
4
LS精密化 シェル
解像度: 1.81→1.96 Å / Total num. of bins used: 7
Rfactor
反射数
%反射
Rfree
0.2247
156
5.63 %
Rwork
0.2042
2615
-
all
0.2053
2771
-
obs
-
-
99.44 %
精密化 TLS
手法: refined / Origin x: 31.0636 Å / Origin y: 30.7887 Å / Origin z: 16.325 Å