温度: 277 K / 手法: microbatch under oil / pH: 8.5 詳細: 160 mM Magnesium chloride hexahydrate, 80 mM TRIS-HCl (pH 8.5) and 24 % w/v PEG4000, microbatch under oil, temperature 277K
タイプ: MAR CCD 165 mm / 検出器: CCD / 日付: 2008年10月24日 / 詳細: Slits: Variable vertical and horizontal slits
放射
モノクロメーター: System consisting of a horizontally deflecting and focusing crystal preceded by a vertically focusing mirror. Distance from monochromator to sample is variable between 2.5 ...モノクロメーター: System consisting of a horizontally deflecting and focusing crystal preceded by a vertically focusing mirror. Distance from monochromator to sample is variable between 2.5 and 4.5 m. Distance from the monochromator to source is ~10.5 m. 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: 0.98 Å / 相対比: 1
Reflection
冗長度: 6.4 % / Av σ(I) over netI: 14.24 / 数: 706932 / Rmerge(I) obs: 0.15 / Χ2: 1.01 / D res high: 1.68 Å / D res low: 30 Å / Num. obs: 110000 / % possible obs: 99.6
Diffraction reflection shell
最高解像度 (Å)
最低解像度 (Å)
% possible obs (%)
ID
Rmerge(I) obs
Chi squared
Redundancy
3.62
30
99.9
1
0.099
1.619
7.3
2.87
3.62
100
1
0.124
1.393
7.5
2.51
2.87
100
1
0.162
1.074
7.6
2.28
2.51
100
1
0.192
1.086
7.3
2.12
2.28
100
1
0.232
1.094
6.8
1.99
2.12
100
1
0.24
0.814
6.6
1.89
1.99
99.9
1
0.319
0.823
6.3
1.81
1.89
99.6
1
0.386
0.586
5.9
1.74
1.81
99
1
0.435
0.531
5.1
1.68
1.74
97.8
1
0.487
0.483
3.9
反射
解像度: 1.68→30 Å / Num. obs: 110000 / % possible obs: 99.6 % / 冗長度: 6.4 % / Rmerge(I) obs: 0.15 / Χ2: 1.012 / Net I/σ(I): 5.1
解像度: 1.676→29.569 Å / Occupancy max: 1 / Occupancy min: 0.47 / FOM work R set: 0.895 / SU ML: 0.21 / σ(F): 0.76 / 位相誤差: 17.86 / 立体化学のターゲット値: ML 詳細: ANOMALOUS SCATTERER GROUPS DETAILS. NUMBER OF ANOMALOUS SCATTERER GROUPS : 1 ANOMALOUS SCATTERER GROUP : 1 SELECTION: name SE fp : -8.0000 fdp : 5.6051
Rfactor
反射数
%反射
Rfree
0.192
5569
5.09 %
Rwork
0.173
-
-
obs
0.174
109375
98.8 %
溶媒の処理
減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL / Bsol: 33.533 Å2 / ksol: 0.333 e/Å3