分子量: 790.145 Da / 分子数: 1 Fragment: RESIDUE UNL 501 REPRESENTS AN UNIDENTIFIED LIPID BOUND TO THE TMD AND IS PRESENT IN ALL DPAGT1 DATASETS ANALYSED 由来タイプ: 合成
解像度: 3.2→26.71 Å / Cor.coef. Fo:Fc: 0.8965 / Cor.coef. Fo:Fc free: 0.9095 / SU R Cruickshank DPI: 1.093 / 交差検証法: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 1.362 / SU Rfree Blow DPI: 0.366 / SU Rfree Cruickshank DPI: 0.365 詳細: Data were scaled with Aimless and then anisotropically truncated with STARANISO. Structure refined with BUSTER with a single TLS group. Electron density maps were sharpened with -100A**2 ...詳細: Data were scaled with Aimless and then anisotropically truncated with STARANISO. Structure refined with BUSTER with a single TLS group. Electron density maps were sharpened with -100A**2 bfactor for rebuilding in COOT.
Rfactor
反射数
%反射
Selection details
Rfree
0.2404
665
5.16 %
RANDOM
Rwork
0.2344
-
-
-
obs
0.2347
12893
98.24 %
-
原子変位パラメータ
Biso mean: 142.51 Å2
Baniso -1
Baniso -2
Baniso -3
1-
3.0724 Å2
0 Å2
0 Å2
2-
-
3.0724 Å2
0 Å2
3-
-
-
-6.1448 Å2
Refine analyze
Luzzati coordinate error obs: 0.438 Å
精密化ステップ
サイクル: 1 / 解像度: 3.2→26.71 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2846
0
22
14
2882
拘束条件
Refine-ID
タイプ
Dev ideal
数
Restraint function
Weight
X-RAY DIFFRACTION
t_bond_d
0.009
2935
HARMONIC
2
X-RAY DIFFRACTION
t_angle_deg
0.99
3999
HARMONIC
2
X-RAY DIFFRACTION
t_dihedral_angle_d
1295
SINUSOIDAL
2
X-RAY DIFFRACTION
t_incorr_chiral_ct
X-RAY DIFFRACTION
t_pseud_angle
X-RAY DIFFRACTION
t_trig_c_planes
42
HARMONIC
2
X-RAY DIFFRACTION
t_gen_planes
433
HARMONIC
5
X-RAY DIFFRACTION
t_it
2935
HARMONIC
20
X-RAY DIFFRACTION
t_nbd
X-RAY DIFFRACTION
t_omega_torsion
2.08
X-RAY DIFFRACTION
t_other_torsion
2.83
X-RAY DIFFRACTION
t_improper_torsion
X-RAY DIFFRACTION
t_chiral_improper_torsion
401
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
3616
SEMIHARMONIC
4
LS精密化 シェル
解像度: 3.2→3.5 Å / Total num. of bins used: 6
Rfactor
反射数
%反射
Rfree
0.2241
151
5.35 %
Rwork
0.2097
2674
-
all
0.2104
2825
-
obs
-
-
92.5 %
精密化 TLS
手法: refined / Origin x: 46.1881 Å / Origin y: 50.2503 Å / Origin z: 128.211 Å