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4KBI

HCV NS5B GT1B N316Y with CMPD 4

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU FR-E+ SUPERBRIGHT
Temperature [K]100
Detector technologyCCD
Collection date2010-03-24
DetectorRIGAKU SATURN 944
Wavelength(s)1.54
Spacegroup nameP 21 21 21
格子定数 [Å]86.040, 106.450, 126.490
格子定数 [度]90.00, 90.00, 90.00
精密化法
残基40.720 - 2.060
R因子0.21319
Rwork0.211
R-free0.25039
Structure solution methodMOLECULAR REPLACEMENT
結合長の平均二乗偏差(RMSD) [Å]0.006
結合角の平均二乗偏差(RMSD) [度]0.961
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC
Quality characteristics
 OverallInner shellOuter shell
分解能 [Å] (低)40.72050.0002.290
分解能 [Å] (高)2.0606.1002.250
Rmerge_l_obs0.1040.0550.469
独立反射数71514
<I/σ(I)>7.4
完全性 [%]97.199.689.7
冗長性6.56.76.2
結晶化条件
結晶ID方法pH温度溶液条件
1VAPOR DIFFUSION, HANGING DROP52980.1M citrate pH5.0, 17% PEG4000, 10% glycerol, vapor diffusion, hanging drop, temperature 298K

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件を2024-09-18に公開中

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