Group: Data collection / カテゴリ: diffrn / diffrn_source
Remark 700
SHEETS THE SHEET STRUCTURES OF CHAIN A, B, C, D, E, F ARE BIFURCATED. IN ORDER TO REPRESENT THIS ... SHEETS THE SHEET STRUCTURES OF CHAIN A, B, C, D, E, F ARE BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED EACH FOR CHAINS A, B, C, D, E, F.
モノクロメーター: 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
ID
波長 (Å)
相対比
1
1
1
2
0.9795
1
反射
解像度: 2.4→49.1 Å / Num. obs: 28972 / % possible obs: 99.5 % / Observed criterion σ(I): -3 / 冗長度: 5.9 % / Biso Wilson estimate: 54 Å2 / Rsym value: 0.05 / Net I/σ(I): 18.1
反射 シェル
解像度: 2.4→2.46 Å / 冗長度: 6.2 % / Mean I/σ(I) obs: 3.2 / Rsym value: 0.7 / % possible all: 99.8
-
解析
ソフトウェア
名称
分類
XDS
データ削減
XSCALE
データスケーリング
SHELX
位相決定
PHASER
位相決定
PHENIX
精密化
精密化
構造決定の手法: 単波長異常分散 開始モデル: NONE 解像度: 2.4→49.058 Å / SU ML: 0.45 / σ(F): 1.36 / 位相誤差: 28.95 / 立体化学のターゲット値: ML 詳細: HYDROGENS WERE REFINED IN THE RIDING POSITIONS. SIDE-CHAINS OF THE FOLLOWING RESIDUES WERE TRUNCATED AT CB ATOMS. CHAIN A, RESIDUE 713. CHAIN B, RESIDUES 658, 730, 749. CHAIN C, RESIDUES 656, ...詳細: HYDROGENS WERE REFINED IN THE RIDING POSITIONS. SIDE-CHAINS OF THE FOLLOWING RESIDUES WERE TRUNCATED AT CB ATOMS. CHAIN A, RESIDUE 713. CHAIN B, RESIDUES 658, 730, 749. CHAIN C, RESIDUES 656, 689, 729, 748. CHAIN D, RESIDUES 658, 749. CHAIN E, RESIDUES 658, 748. CHAIN F, RESIDUES 665, 693, 750.
Rfactor
反射数
%反射
Rfree
0.2566
1477
5.1 %
Rwork
0.2208
-
-
obs
0.2226
28937
99.42 %
溶媒の処理
減衰半径: 0.86 Å / VDWプローブ半径: 1.1 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL / Bsol: 42.347 Å2 / ksol: 0.309 e/Å3