分子量: 12250.814 Da / 分子数: 2 / 由来タイプ: 組換発現 由来: (組換発現) Burkholderia xenovorans (バクテリア) 株: LB400 / プラスミド: PEBRE12 / 発現宿主: Escherichia coli (大腸菌) 参照: UniProt: P37332, Oxidoreductases; Acting on paired donors, with incorporation or reduction of molecular oxygen; With NADH or NADPH as one donor, and incorporation of two atoms of oxygen into the other donor
解像度: 1.6→26 Å / Num. obs: 34971 / % possible obs: 98.9 % / Observed criterion σ(I): 0 / 冗長度: 4.95 % / Biso Wilson estimate: 14.5 Å2 / Rmerge(I) obs: 0.068 / Net I/σ(I): 9.6
反射 シェル
解像度: 1.6→1.66 Å / 冗長度: 4.91 % / Rmerge(I) obs: 0.412 / Mean I/σ(I) obs: 2.2 / % possible all: 97.6
反射 シェル
*PLUS
% possible obs: 97.6 %
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解析
ソフトウェア
名称
分類
MLPHARE
位相決定
CNS
精密化
DENZO
データ削減
SCALEPACK
データスケーリング
精密化
構造決定の手法: FE MAD / 解像度: 1.6→26 Å / Rfactor Rfree error: 0.005 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 0 / 立体化学のターゲット値: ENGH & HUBER 詳細: THE GEOMETRY WITHIN THE FE-S CLUSTER AND THE BONDS WITH THE PROTEIN LIGANDS WERE RESTRAINED WITH FORCE CONSTANTS OF: 200 KCAL MOLE^-1 ANG.^2 APPLIED TO FE-S (TARGET=2.28 ANG.), FE-ND1 (2.05 ...詳細: THE GEOMETRY WITHIN THE FE-S CLUSTER AND THE BONDS WITH THE PROTEIN LIGANDS WERE RESTRAINED WITH FORCE CONSTANTS OF: 200 KCAL MOLE^-1 ANG.^2 APPLIED TO FE-S (TARGET=2.28 ANG.), FE-ND1 (2.05 ANG.), AND FE-FE (2.68 ANG.) DISTANCES; 40 KCAL MOLE^-1 RAD^-2 APPLIED TO ANGLES S-FE-ND1 (115 DEG.), S-FE-S (105 DEG.), FE-S-FE (75 DEG.), ND1-FE-ND1 (90 DEG.), FE-ND1-CG (108 DEG.), AND FE-S-CB (109.5 DEG.) REFINEMENT TARGET EQUALS MAXIMUM LIKELIHOOD TARGET USING AMPLITUDES