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: 0.97949 Å / 相対比: 1
反射
解像度: 2.25→35.51 Å / Num. obs: 7738 / % possible obs: 99.9 % / 冗長度: 4.12 % / Rmerge(I) obs: 0.046 / Net I/σ(I): 14.6771
反射 シェル
解像度 (Å)
冗長度 (%)
Rmerge(I) obs
Num. measured all
Num. unique all
Diffraction-ID
% possible all
2.25-2.37
4.17
0.49
4628
1110
1
100
2.37-2.52
4.19
0.23
4434
1058
1
99.9
2.52-2.69
4.17
0.16
4147
994
1
100
2.69-2.9
4.19
0.09
3971
947
1
99.89
2.9-3.18
4.18
0.06
3509
840
1
99.94
3.18-3.56
4.14
0.03
3233
781
1
99.8
3.56-4.11
4.07
0.04
2848
700
1
99.93
4.11-5.03
3.96
0.04
2318
586
1
100
5.03-7.12
3.91
0.04
1806
462
1
99.77
7.12-35.51
3.68
0.04
956
260
1
99.24
-
位相決定
位相決定
手法: 分子置換
-
解析
ソフトウェア
名称
バージョン
分類
NB
SCALA
CCP4_3.3.20
データスケーリング
PHASER
位相決定
REFMAC
5.7.0027
精密化
PDB_EXTRACT
3.11
データ抽出
XDS
データ削減
精密化
構造決定の手法: 分子置換 開始モデル: unpublished model of complex between same protein and DNA fragment. That structure was solved by a combination of zinc-SAD (SHELXD/E) and molecular replacement in "density" mode ...開始モデル: unpublished model of complex between same protein and DNA fragment. That structure was solved by a combination of zinc-SAD (SHELXD/E) and molecular replacement in "density" mode (MOLREP), using ideal DNA (COOT) and human MLL2 (currently unpublished) as search models. 解像度: 2.25→35 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.954 / WRfactor Rfree: 0.276 / WRfactor Rwork: 0.241 / Occupancy max: 1 / Occupancy min: 0.5 / SU B: 14.195 / SU ML: 0.189 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.241 / ESU R Free: 0.198 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES WITH TLS ADDED. COOT and the MOLPROBITY server were also used during refinement.
Rfactor
反射数
%反射
Selection details
Rfree
0.2502
351
4.537 %
RANDOM
Rwork
0.2196
-
-
-
obs
0.221
7736
99.781 %
-
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: 1.2 Å / 溶媒モデル: MASK BULK SOLVENT