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1NBZ

Crystal Structure of HyHEL-63 complexed with HEL mutant K97A

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Detector technologyIMAGE PLATE
Wavelength(s)1.5418
Spacegroup nameP 42 21 2
Unit cell lengths90.903, 90.903, 151.184
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution34.900 - 1.850
R-factor0.2291
Rwork0.229
R-free0.24500

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Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006

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RMSD bond angle0.022

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Refinement softwareCNS (1.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]34.900
High resolution limit [Å]1.8501.850

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Rmerge0.054

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0.366

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Total number of observations53340

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Number of reflections472861

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Completeness [%]97.3

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93.2

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Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.6PEG 4000, AMMONIUM ACETATE, SODIUM ACETATE, pH 4.60, VAPOR DIFFUSION, HANGING DROP
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein10 (mg/ml)
21reservoirPEG400015 (%(w/v))
31reservoirammonium acetate0.1 (M)
41reservoirsodium acetate0.05 (M)pH4.6

217705

PDB entries from 2024-03-27

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