SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED.
タイプ: ADSC CCD / 検出器: CCD / 日付: 2002年12月1日 詳細: A ZEISS MIRROR WITH DIMENSIONS OF 800X95X78 MM3. MADE OF MONOCRYSTALLINE SILICON AND COATED WITH 20-50 NM RH. SPECIFICATIONS SAGITTAL RADIUS 77.15, BENDING RADIUS 9KM
放射
モノクロメーター: KHOZU MONOCHROMATOR WITH A MCKHOZU MONOCHROMATOR WITH A MCLENNON CONTROLLER CONTAINING A LN2 COOLED SI111 CRYSTAL 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: 1.025 Å / 相対比: 1
反射
解像度: 1.5→46.12 Å / Num. obs: 21737 / % possible obs: 100 % / Observed criterion σ(I): 2 / 冗長度: 5 % / Rmerge(I) obs: 0.04 / Net I/σ(I): 40
反射 シェル
解像度: 1.5→1.53 Å / 冗長度: 3.2 % / Rmerge(I) obs: 0.1 / Mean I/σ(I) obs: 13 / % possible all: 99
解像度: 1.5→46.13 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.962 / SU B: 0.945 / SU ML: 0.037 / 交差検証法: THROUGHOUT / ESU R: 0.067 / ESU R Free: 0.067 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
反射数
%反射
Selection details
Rfree
0.164
1114
5.1 %
RANDOM
Rwork
0.14
-
-
-
obs
0.141
20621
99.6 %
-
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: BABINET MODEL WITH MASK