SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
分子量: 12091.158 Da / 分子数: 1 / 断片: RESIDUES 36-197 / 由来タイプ: 組換発現 詳細: RESIDUES 36-197 WERE EXPRESSED WITH AN N- TERMINAL HIS6 TAG. THE PROTEIN WAS DIGESTED WITH PROTEINASE K AND PURIFIED. THE N-TERMINUS WAS VERIFIED BY EDMAN DEGRADATION. 由来: (組換発現) RHODOCOCCUS EQUI (バクテリア) / 株: PAM 1593 / プラスミド: PETITE N-HIS KAN / 発現宿主: ESCHERICHIA COLI (大腸菌) / 株 (発現宿主): BL21(DE3) / 参照: UniProt: B4F366
COBALT ION (CO): FROM CRYSTALLIZATION COCKTAIL THAT CONTAINED 0.01 M COCL2
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実験情報
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実験
実験
手法: X線回折 / 使用した結晶の数: 1
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試料調製
結晶
マシュー密度: 2.79 Å3/Da / 溶媒含有率: 56 % 解説: STRUCTURE WAS SOLVED WITH A DIFFERENT DATA SET COLLECTED AT 1.5418 ANGSTROM ON AN AGILENT SUPERNOVA SEALED TUBE DIFFRACTOMETER WITH ATLAS CCD.
結晶化
温度: 293 K / 手法: 蒸気拡散法, シッティングドロップ法 詳細: SITTING DROP VAPOUR DIFFUSION AT 293 K WITH 1 UL PROTEIN (10 MG/ML) PLUS 0.5 UL RESERVOIR SOLUTION CONSISTING OF 0.01 M COCL2, 0.1 M NA-ACETATE, PH 4.6, AND 1.0 M HEXANEDIOL (JCSG CORE II CONDITION G4).
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: 0.91985 Å / 相対比: 1
反射
解像度: 1.4→50 Å / Num. obs: 20584 / % possible obs: 100 % / Observed criterion σ(I): -3 / 冗長度: 37 % / Rmerge(I) obs: 0.1 / Net I/σ(I): 26.9
反射 シェル
解像度: 1.4→1.44 Å / 冗長度: 29 % / Rmerge(I) obs: 1.26 / Mean I/σ(I) obs: 2.67 / % possible all: 100
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解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.8.0069
精密化
XDS
データ削減
XSCALE
データスケーリング
SHELXD
位相決定
精密化
構造決定の手法: 単波長異常分散 / 解像度: 1.4→50 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.958 / SU B: 2.252 / SU ML: 0.044 / 交差検証法: THROUGHOUT / ESU R: 0.066 / ESU R Free: 0.068 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES WITH TLS ADDED
Rfactor
反射数
%反射
Selection details
Rfree
0.19854
2030
9.9 %
RANDOM
Rwork
0.16972
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obs
0.17252
18526
99.95 %
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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