温度: 289 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 6.8 詳細: INHA, ENOYL-ACP REDUCTASE FROM MYCOBACTERIUM TUBERCULOSIS, R5645 AT 10.0 MG/ML (340UM), BATCH NUMBER 1526003A, IN 20MM PIPES PH 7.3, 50 MM NACL, WITH 3.5MM NAD+ (EBSI1606) AND 420UM AN2918 ...詳細: INHA, ENOYL-ACP REDUCTASE FROM MYCOBACTERIUM TUBERCULOSIS, R5645 AT 10.0 MG/ML (340UM), BATCH NUMBER 1526003A, IN 20MM PIPES PH 7.3, 50 MM NACL, WITH 3.5MM NAD+ (EBSI1606) AND 420UM AN2918 (EBSI4012) AGAINST OPTIMIZATION SCREEN ACR_PEGISH_AMAC_DMSO_ADA WELL E4: 0.1M ADA/NAOH PH6.8, 12.0% W/V PEG 4,000, 0.25M AMMONIUM ACETATE, AND CRYO-PROTECTED IN 40% MPD WITH 0.1MM OF EACH COMPOUND; CRYSTAL TRACKING ID 249555E4 (BUV9-3), PH 6.80, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289K PH範囲: 6.8
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: 0.97872 Å / 相対比: 1
反射
解像度: 2.5→49.09 Å / Num. obs: 38978 / % possible obs: 99.9 % / Observed criterion σ(I): -3 / 冗長度: 9 % / Biso Wilson estimate: 56.44 Å2 / Rmerge(I) obs: 0.059 / Net I/σ(I): 22.82
反射 シェル
解像度: 2.5→2.56 Å / Rmerge(I) obs: 0.515 / Mean I/σ(I) obs: 4.6 / % possible all: 100
-
解析
ソフトウェア
名称
バージョン
分類
PHASER
位相決定
REFMAC
5.8.0049
精密化
精密化
構造決定の手法: 分子置換 / 解像度: 2.5→49.09 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.938 / SU B: 17.742 / SU ML: 0.185 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.526 / ESU R Free: 0.255 詳細: U VALUES : WITH TLS ADDED HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS