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1OZ7

Crystal structure of Echicetin from the venom of Indian saw-scaled viper (Echis carinatus) at 2.4 resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU300
Temperature [K]283
Detector technologyIMAGE PLATE
Collection date2002-06-06
DetectorMARRESEARCH
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths37.966, 95.258, 42.611
Unit cell angles90.00, 112.58, 90.00
Refinement procedure
Resolution20.000 - 2.400
R-factor0.18819
Rwork0.185
R-free0.24800

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Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1bj3
RMSD bond length0.012

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RMSD bond angle2.000

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Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.500
High resolution limit [Å]2.4002.400
Rmerge0.0980.210
Number of reflections9776
<I/σ(I)>92.5
Completeness [%]95.085

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Redundancy54
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.6

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298100mM Sodium acetate, 2.0M Ammonium sulphate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropsodium acetate trihydrate0.1 (M)pH4.6
21dropprotein15 (mg/ml)
31reservoirammonium sulfate2.0 (M)
41reservoirsodium acetate0.1 (M)pH4.6
51reservoir10 (mM)

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