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1VA5

Antigen 85C with octylthioglucoside in active site

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2000-08-04
DetectorMACSCIENCE
Wavelength(s)1.5418
Spacegroup nameC 1 2 1
Unit cell lengths144.818, 68.117, 82.281
Unit cell angles90.00, 119.60, 90.00
Refinement procedure
Resolution38.720 - 2.020
R-factor0.187
Rwork0.187
R-free0.21100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1dzq
RMSD bond length0.006
RMSD bond angle1.300
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]38.7202.120
High resolution limit [Å]2.0202.020
Number of reflections44080
<I/σ(I)>17.5
Completeness [%]95.283.9
Redundancy3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.5293octylthioglucoside, Sodium Acetate, Imidazole, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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