ジャーナル: Acta Crystallogr.,Sect.D / 年: 2005 タイトル: Structure of Mycobacterium smegmatis single-stranded DNA-binding protein and a comparative study involving homologus SSBs: biological implications of structural plasticity and ...タイトル: Structure of Mycobacterium smegmatis single-stranded DNA-binding protein and a comparative study involving homologus SSBs: biological implications of structural plasticity and variability in quaternary association. 著者: Saikrishnan, K. / Manjunath, G.P. / Singh, P. / Jeyakanthan, J. / Dauter, Z. / Sekar, K. / Muniyappa, K. / Vijayan, M.
解像度: 2.7→2.8 Å / Rmerge(I) obs: 0.526 / % possible all: 100
-
解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.1.24
精密化
DENZO
データ削減
SCALEPACK
データスケーリング
AMoRE
位相決定
精密化
構造決定の手法: 分子置換 / 解像度: 2.7→20 Å / Cor.coef. Fo:Fc: 0.933 / Cor.coef. Fo:Fc free: 0.86 / SU B: 13.696 / SU ML: 0.276 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R Free: 0.408 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.27459
698
9.8 %
RANDOM
Rwork
0.20042
-
-
-
all
0.20752
6392
-
-
obs
0.20752
6392
99.55 %
-
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: BABINET MODEL WITH MASK
原子変位パラメータ
Biso mean: 45.56 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-2.58 Å2
-1.29 Å2
0 Å2
2-
-
-2.58 Å2
0 Å2
3-
-
-
3.87 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.7→20 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1629
0
2
171
1802
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.017
0.021
1649
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
1552
X-RAY DIFFRACTION
r_angle_refined_deg
1.576
1.942
2240
X-RAY DIFFRACTION
r_angle_other_deg
0.863
3
3563
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.65
5
218
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
X-RAY DIFFRACTION
r_chiral_restr
0.087
0.2
272
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
1872
X-RAY DIFFRACTION
r_gen_planes_other
0.006
0.02
350
X-RAY DIFFRACTION
r_nbd_refined
0.229
0.2
339
X-RAY DIFFRACTION
r_nbd_other
0.242
0.2
1913
X-RAY DIFFRACTION
r_nbtor_refined
X-RAY DIFFRACTION
r_nbtor_other
0.09
0.2
1129
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.249
0.2
80
X-RAY DIFFRACTION
r_xyhbond_nbd_other
X-RAY DIFFRACTION
r_metal_ion_refined
0.031
0.2
1
X-RAY DIFFRACTION
r_metal_ion_other
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.285
0.2
46
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.265
0.2
131
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.502
0.2
19
X-RAY DIFFRACTION
r_symmetry_hbond_other
X-RAY DIFFRACTION
r_symmetry_metal_ion_refined
X-RAY DIFFRACTION
r_symmetry_metal_ion_other
X-RAY DIFFRACTION
r_mcbond_it
1.546
1.5
1096
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
2.911
2
1748
X-RAY DIFFRACTION
r_scbond_it
2.974
3
553
X-RAY DIFFRACTION
r_scangle_it
5.705
4.5
492
X-RAY DIFFRACTION
r_rigid_bond_restr
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
LS精密化 シェル
解像度: 2.701→2.769 Å / Total num. of bins used: 20 /