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1TSU

CRYSTAL STRUCTURE OF DECAMER NCP1 SUBSTRATE PEPTIDE IN COMPLEX WITH WILD-TYPE D25N HIV-1 PROTEASE VARIANT

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]220
Detector technologyIMAGE PLATE
Collection date2002-10-29
DetectorRIGAKU RAXIS
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths51.058, 57.731, 61.495
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution42.260 - 2.100
R-factor0.20717
Rwork0.206
R-free0.23355
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1mtr
RMSD bond length0.014
RMSD bond angle1.462
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.1.19)
Data quality characteristics
 Overall
Low resolution limit [Å]42.260
High resolution limit [Å]2.100
Rmerge0.092
Number of reflections10450
Completeness [%]94.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.2298SODIUM PHOSPHATE, SODIUM CITRATE, AMMONIUM SULPHATE, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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