- PDB-6ckq: Solution structure of the Burkholderia thailandensis transcriptio... -
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基本情報
登録情報
データベース: PDB / ID: 6ckq
タイトル
Solution structure of the Burkholderia thailandensis transcription antitermination protein NusB (BTH_I1529) - Seattle Structural Genomics Center for Infectious Disease target ButhA.17903.a
要素
Transcription antitermination protein NusB
キーワード
TRANSCRIPTION / infectious disease model / transcription antitermnation / NusA / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease / SSGCID
BMRB: 30421Solution structure of the Burkholderia thailandensis transcription antitermination protein NusB (BTH_I1529) - Seattle Structural Genomics Center for Infectious Disease target ButhA.17903.a
根拠: gel filtration, The protein was a eluted with a retention time characteristic of a monomer on a size exclusion column (Superdex75). Other spectra properties were consistent with a monomer.
タイプ: solution 内容: 1 mM [U-99% 13C; U-99% 15N] NusB, 100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 93% H2O/7% D2O Label: NusB / 溶媒系: 93% H2O/7% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
1mM
NusB
[U-99% 13C; U-99% 15N]
1
100mM
sodiumchloride
naturalabundance
1
20mM
TRIS
naturalabundance
1
1mM
DTT
naturalabundance
1
試料状態
イオン強度: 0.12 M / Label: condition_1 / pH: 7 / PH err: 0.1 / 圧: 1 atm / 温度: 293 K / Temperature err: 0.4
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NMR測定
NMRスペクトロメーター
タイプ
製造業者
モデル
磁場強度 (MHz)
Spectrometer-ID
Varian VXRS
Varian
VXRS
600
1
Agilent VXRS
Agilent
VXRS
750
2
Agilent VXRS
Agilent
VXRS
800
3
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解析
NMR software
名称
バージョン
開発者
分類
Sparky
3.13
Goddard
データ解析
CYANA
2.1
Guntert, MumenthalerandWuthrich
structurecalculation
CNS
1.1
Brunger, Adams, Clore, Gros, NilgesandRead
精密化
PSVS
1.5
BhattacharyaandMontelione
peakpicking
Felix
2007
AccelrysSoftwareInc.
解析
精密化
手法: torsion angle dynamics / ソフトェア番号: 2 詳細: STRUCTURE DETERMINATION WAS PERFORMED ITERATIVELY USING CYANA (AUTOMATED NOESY ASSIGNMENTS). A TOTAL OF 20 STRUCTURES OUT OF 100 WITH LOWEST TARGET FUNCTION FROM THE FINAL CYANA CALCULATION ...詳細: STRUCTURE DETERMINATION WAS PERFORMED ITERATIVELY USING CYANA (AUTOMATED NOESY ASSIGNMENTS). A TOTAL OF 20 STRUCTURES OUT OF 100 WITH LOWEST TARGET FUNCTION FROM THE FINAL CYANA CALCULATION WERE TAKEN AND REFINED BY RESTRAINED MOLECULAR DYNAMICS/ENERGY MINIMIZATION IN EXPLICIT WATER (CNS) AFTER ADDING 5% TO THE UPPER BOUNDARY LIMIT OF THE DISTANCE RESTRAINTS AND THE VDW
代表構造
選択基準: closest to the average
NMRアンサンブル
コンフォーマー選択の基準: target function / 計算したコンフォーマーの数: 100 / 登録したコンフォーマーの数: 20