BIOMOLECULE: 1 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 1 ... BIOMOLECULE: 1 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 1 CHAIN(S). AUTHORS STATE THAT THE BIOLOGICAL UNIT OF THIS PROTEIN IS UNKNOWN.
Remark 999
SEQUENCE AUTHORS STATE THAT THERE IS AN UNINTENDED MUTATION AT SEQUENCE POSITION 7.
解像度: 1.78→22 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.94 / WRfactor Rfree: 0.205 / WRfactor Rwork: 0.16 / SU B: 2.668 / SU ML: 0.085 / ESU R: 0.127 / ESU R Free: 0.124 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. Coot,arp/warp,molprobity programs were also used in refinement.
Rfactor
反射数
%反射
Rfree
0.2159
1341
5.056 %
Rwork
0.1704
-
-
all
0.173
-
-
obs
-
26522
99.936 %
溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.4 Å / 溶媒モデル: MASK BULK SOLVENT
原子変位パラメータ
Biso mean: 17.838 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.669 Å2
0 Å2
-0.417 Å2
2-
-
-0.837 Å2
0 Å2
3-
-
-
0.035 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.78→22 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2397
0
3
134
2534
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.017
0.022
2459
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
1657
X-RAY DIFFRACTION
r_angle_refined_deg
1.372
1.956
3336
X-RAY DIFFRACTION
r_angle_other_deg
0.921
3
4029
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.42
5
301
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.623
24.017
117
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
11.639
15
417
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
12.203
15
13
X-RAY DIFFRACTION
r_chiral_restr
0.089
0.2
367
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
2743
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
527
X-RAY DIFFRACTION
r_nbd_refined
0.209
0.2
395
X-RAY DIFFRACTION
r_nbd_other
0.195
0.2
1674
X-RAY DIFFRACTION
r_nbtor_refined
0.177
0.2
1166
X-RAY DIFFRACTION
r_nbtor_other
0.084
0.2
1221
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.117
0.2
96
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.163
0.2
16
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.237
0.2
42
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.249
0.2
14
X-RAY DIFFRACTION
r_mcbond_it
2.52
2
1646
X-RAY DIFFRACTION
r_mcbond_other
0.739
2
603
X-RAY DIFFRACTION
r_mcangle_it
3.138
3
2398
X-RAY DIFFRACTION
r_scbond_it
2.683
2
1092
X-RAY DIFFRACTION
r_scangle_it
3.715
3
934
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20