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2NXD

Structure of HIV-1 protease D25N complexed with rt-rh analogue peptide GLY-ALA-ASP-ILE-PHE*TYR-LEU-ASP-GLY-ALA

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]200
Detector technologyIMAGE PLATE
Collection date2005-03-29
DetectorRIGAKU RAXIS IV
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
格子定数 [Å]51.171, 57.692, 61.482
格子定数 [度]90.00, 90.00, 90.00
精密化法
残基42.070 - 2.000
R因子0.1979
Rwork0.195
R-free0.25737
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1T3R - Crystal structure of HIV-1 protease complexed with the inhibitor TMC114
結合長の平均二乗偏差(RMSD) [Å]0.007
結合角の平均二乗偏差(RMSD) [度]1.218
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.2)
Quality characteristics
 Overall
分解能 [Å] (低)42.070
分解能 [Å] (高)2.000
Rmerge_l_obs0.034
独立反射数11909
<I/σ(I)>21.2
完全性 [%]92.7
冗長性5
結晶化条件
結晶ID方法pH温度溶液条件
1VAPOR DIFFUSION, HANGING DROP6.2298126 mM sodium phosphate pH 6.2; 63mM sodium citrate; 25-35%Ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K

217705

件を2024-03-27に公開中

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