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3EKQ

Crystal structure of inhibitor saquinavir (SQV) in complex with multi-drug resistant HIV-1 protease (L63P/V82T/I84V) (referred to as ACT in paper)

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]300
Detector technologyIMAGE PLATE
Collection date2008-01-28
DetectorRIGAKU RAXIS IV
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
格子定数 [Å]51.164, 59.291, 61.389
格子定数 [度]90.00, 90.00, 90.00
精密化法
残基20.000 - 2.200
R因子0.197
Rwork0.195
R-free0.24600
Starting model (for MR)1f7a
結合長の平均二乗偏差(RMSD) [Å]0.008
結合角の平均二乗偏差(RMSD) [度]1.273
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.2.0005)
Quality characteristics
 Overall
分解能 [Å] (低)42.000
分解能 [Å] (高)2.000
Rmerge_l_obs0.070
独立反射数12975
<I/σ(I)>6
完全性 [%]97.2
冗長性6.6
結晶化条件
結晶ID方法pH温度溶液条件
1VAPOR DIFFUSION, HANGING DROP6.2300pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 300K

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件を2024-03-27に公開中

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