O: PUTATIVE SNRNP SM-LIKE PROTEIN P: PUTATIVE SNRNP SM-LIKE PROTEIN Q: PUTATIVE SNRNP SM-LIKE PROTEIN R: PUTATIVE SNRNP SM-LIKE PROTEIN S: PUTATIVE SNRNP SM-LIKE PROTEIN T: PUTATIVE SNRNP SM-LIKE PROTEIN U: PUTATIVE SNRNP SM-LIKE PROTEIN
V: PUTATIVE SNRNP SM-LIKE PROTEIN W: PUTATIVE SNRNP SM-LIKE PROTEIN X: PUTATIVE SNRNP SM-LIKE PROTEIN Y: PUTATIVE SNRNP SM-LIKE PROTEIN Z: PUTATIVE SNRNP SM-LIKE PROTEIN 1: PUTATIVE SNRNP SM-LIKE PROTEIN 2: PUTATIVE SNRNP SM-LIKE PROTEIN
A: PUTATIVE SNRNP SM-LIKE PROTEIN B: PUTATIVE SNRNP SM-LIKE PROTEIN C: PUTATIVE SNRNP SM-LIKE PROTEIN D: PUTATIVE SNRNP SM-LIKE PROTEIN E: PUTATIVE SNRNP SM-LIKE PROTEIN F: PUTATIVE SNRNP SM-LIKE PROTEIN G: PUTATIVE SNRNP SM-LIKE PROTEIN ヘテロ分子
V: PUTATIVE SNRNP SM-LIKE PROTEIN W: PUTATIVE SNRNP SM-LIKE PROTEIN X: PUTATIVE SNRNP SM-LIKE PROTEIN Y: PUTATIVE SNRNP SM-LIKE PROTEIN Z: PUTATIVE SNRNP SM-LIKE PROTEIN 1: PUTATIVE SNRNP SM-LIKE PROTEIN 2: PUTATIVE SNRNP SM-LIKE PROTEIN
モノクロメーター: GRAPHITE / プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
波長: 0.842 Å / 相対比: 1
反射
解像度: 2.5→20 Å / Num. all: 63291 / Num. obs: 63291 / % possible obs: 99.3 % / 冗長度: 4.04 % / Biso Wilson estimate: 46.889 Å2 / Rsym value: 0.072 / Net I/σ(I): 14.1
反射 シェル
解像度: 2.5→2.6 Å / 冗長度: 3.34 % / Mean I/σ(I) obs: 3.5 / Num. unique all: 6999 / Rsym value: 0.353 / % possible all: 99.9
反射
*PLUS
Num. measured all: 255898 / Rmerge(I) obs: 0.072
反射 シェル
*PLUS
最高解像度: 2.5 Å / 最低解像度: 2.6 Å / % possible obs: 99.9 % / Rmerge(I) obs: 0.353
-
解析
ソフトウェア
名称
バージョン
分類
MOLREP
位相決定
CNS
1
精密化
MAR345
データ収集
XDS
データスケーリング
精密化
構造決定の手法: 分子置換 開始モデル: A seven membered ring of an Sm-like protein from Pyrococcus abyssii. 解像度: 2.5→20 Å / Rfactor Rfree error: 0.005 / Isotropic thermal model: GROUP / 交差検証法: THROUGHOUT / 立体化学のターゲット値: Engh & Huber
Rfactor
反射数
%反射
Selection details
Rfree
0.264
3165
5 %
RANDOM
Rwork
0.207
-
-
-
all
0.209
63291
-
-
obs
0.209
63291
99.4 %
-
原子変位パラメータ
Biso mean: 59.6 Å2
Baniso -1
Baniso -2
Baniso -3
1-
2.16 Å2
0 Å2
-4.31 Å2
2-
-
-0.86 Å2
0 Å2
3-
-
-
-1.3 Å2
Refine analyze
Free
Obs
Luzzati coordinate error
0.42 Å
0.31 Å
Luzzati d res low
-
5 Å
Luzzati sigma a
0.47 Å
0.36 Å
精密化ステップ
サイクル: LAST / 解像度: 2.5→20 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
15463
0
26
100
15589
拘束条件
Refine-ID
タイプ
Dev ideal
X-RAY DIFFRACTION
c_angle_deg
1.5
X-RAY DIFFRACTION
c_bond_d
0.008
X-RAY DIFFRACTION
c_dihedral_angle_d
25.3
X-RAY DIFFRACTION
c_improper_angle_d
1.24
LS精密化 シェル
解像度: 2.5→2.66 Å / Rfactor Rfree error: 0.015 / Total num. of bins used: 6
Rfactor
反射数
%反射
Rfree
0.333
524
5 %
Rwork
0.28
9961
-
obs
-
9961
99.9 %
Xplor file
Refine-ID
Serial no
Param file
Topol file
X-RAY DIFFRACTION
1
protein_rep.param
protein.top
X-RAY DIFFRACTION
2
water_rep.param
water.top
X-RAY DIFFRACTION
3
cit.par
cit.top
ソフトウェア
*PLUS
名称: CNS / バージョン: 1 / 分類: refinement
精密化
*PLUS
最高解像度: 2.5 Å / 最低解像度: 20 Å / % reflection Rfree: 5 % / Rfactor obs: 0.207