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1TMU

Changes in interactions in complexes of hirudin derivatives and human alpha-thrombin due to different crystal forms

Experimental procedure
Spacegroup nameP 21 21 2
Unit cell lengths80.900, 107.500, 45.900
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution10.000 - 2.500
R-factor0.202
RMSD bond length0.019
RMSD bond angle3.400
Phasing softwareX-PLOR
Refinement softwareTNT
Data quality characteristics
 Overall
Low resolution limit [Å]30.000

*

High resolution limit [Å]2.500

*

Rmerge0.080

*

Total number of observations35785

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Number of reflections13404

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Completeness [%]93.0

*

Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

4

*

Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoiracetate0.1 (M)
21reservoirPEG60006-12 (%)

217705

PDB entries from 2024-03-27

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