Glycoside hydrolase family 11, active site 2 / Glycosyl hydrolases family 11 (GH11) active site signature 2. / Glycoside hydrolase family 11/12, catalytic domain / Glycoside hydrolase family 11, active site 1 / Glycosyl hydrolases family 11 (GH11) active site signature 1. / Glycoside hydrolase family 11 / Glycosyl hydrolases family 11 (GH11) domain / Glycosyl hydrolases family 11 / Glycosyl hydrolases family 11 (GH11) domain profile. / Glycoside hydrolase family 11/12 ...Glycoside hydrolase family 11, active site 2 / Glycosyl hydrolases family 11 (GH11) active site signature 2. / Glycoside hydrolase family 11/12, catalytic domain / Glycoside hydrolase family 11, active site 1 / Glycosyl hydrolases family 11 (GH11) active site signature 1. / Glycoside hydrolase family 11 / Glycosyl hydrolases family 11 (GH11) domain / Glycosyl hydrolases family 11 / Glycosyl hydrolases family 11 (GH11) domain profile. / Glycoside hydrolase family 11/12 / Concanavalin A-like lectin/glucanase domain superfamily / Jelly Rolls / Sandwich / Mainly Beta 類似検索 - ドメイン・相同性
温度: 293.15 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 3.5 詳細: 1ul of protein at 20mg/ml mixed with 1ul of mother liquor, plus 0.2ul of a seed stock made from a previous crystallization drop. Crystallization condition is 0.1M Citric Acid pH 3.5, 25% PEG 3350. Temp details: Temperature Controlled Crystal Incubator
モノクロメーター: Double-crystal Si(111) / 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: 0.75141 Å / 相対比: 1
反射
解像度: 1→44.333 Å / Num. obs: 181340 / % possible obs: 100 % / 冗長度: 4.5 % / Biso Wilson estimate: 8.14 Å2 / Rmerge(I) obs: 0.058 / Net I/av σ(I): 21 / Net I/σ(I): 6.6
反射 シェル
解像度 (Å)
冗長度 (%)
Rmerge(I) obs
Mean I/σ(I) obs
CC1/2
Diffraction-ID
% possible all
1-1.02
3.7
0.973
0.89
0.557
1
99.9
1.02-1.04
4.1
0.793
1.22
0.681
1
100
1.04-1.06
4.4
0.682
1.53
0.754
1
100
1.06-1.08
4.5
0.528
2
0.839
1
100
1.08-1.1
4.5
0.425
2.63
0.882
1
100
1.1-1.13
4.5
0.337
3.44
0.929
1
100
1.13-1.15
4.5
0.284
4.06
0.948
1
100
1.15-1.19
4.5
0.253
4.8
0.955
1
100
1.19-1.22
4.5
0.227
5.2
0.961
1
100
1.22-1.26
4.5
0.202
6.29
0.968
1
100
1.26-1.3
4.6
0.18
6.71
0.976
1
100
1.3-1.36
4.6
0.154
8.15
0.981
1
100
1.36-1.42
4.6
0.129
9.69
0.986
1
100
1.42-1.49
4.6
0.106
12.3
0.99
1
100
1.49-1.59
4.6
0.089
16.46
0.993
1
100
1.59-1.71
4.6
0.078
20.07
0.993
1
100
1.71-1.88
4.6
0.064
26.35
0.995
1
100
1.88-2.15
4.5
0.045
36.77
0.997
1
100
2.15-2.71
4.6
0.034
41.58
0.998
1
100
2.71-50
4.7
0.023
54.12
0.999
1
100
-
位相決定
位相決定
手法: 分子置換
Phasing MR
最高解像度
最低解像度
Rotation
1.04 Å
19.29 Å
Translation
1.04 Å
19.29 Å
-
解析
ソフトウェア
名称
バージョン
分類
HKL-2000
v708c
データ削減
HKL-2000
v708c
データスケーリング
PHASER
2.7.0
位相決定
Coot
0.8.2
モデル構築
PHENIX
dev_2841
精密化
PDB_EXTRACT
3.2
データ抽出
HKL
データ削減
HKL
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: Fen49 Computational Design, with residues 63, 85-95 and 116-122 removed 解像度: 1→44.333 Å / SU ML: 0.08 / 交差検証法: FREE R-VALUE / σ(F): 1.35 / 位相誤差: 10.88 詳細: Interative rounds of model building in Coot and refinement in Phenix. Refinement in real and reciprocal space, all-atom (except H) anisotropic ADP refinement, occupancy refinement. ...詳細: Interative rounds of model building in Coot and refinement in Phenix. Refinement in real and reciprocal space, all-atom (except H) anisotropic ADP refinement, occupancy refinement. Optimization of X-ray to stereochemistry and X-ray to ADP weights. Automatic addition of hydrogens to the model, and automatic correction of N/Q/H errors. Several rounds of updating waters during refinement. Manual inspection and correction of waters before the final round of refinement.