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1A0H

THE X-RAY CRYSTAL STRUCTURE OF PPACK-MEIZOTHROMBIN DESF1: KRINGLE/THROMBIN AND CARBOHYDRATE/KRINGLE/THROMBIN INTERACTIONS AND LOCATION OF THE LINKER CHAIN

Experimental procedure
Source typeROTATING ANODE
Source detailsRIGAKU RUH2R
Temperature [K]273
Detector technologyAREA DETECTOR
Collection date1996-03
DetectorSIEMENS
Spacegroup nameP 41 21 2
Unit cell lengths186.150, 186.150, 120.290
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution7.000 - 3.200
R-factor0.205
Rwork0.205
R-free0.24200
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)THROMBIN
RMSD bond length0.013

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RMSD bond angle1.960

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Data reduction softwareSCALEK
Data scaling softwareSCALEK
Phasing softwareX-PLOR (3.84)
Refinement softwareX-PLOR (3.84)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]42.3003.300
High resolution limit [Å]3.2003.200
Rmerge0.1200.190
Number of reflections31648
<I/σ(I)>5.71.8
Completeness [%]88.060
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

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817 MG/ML PROTEIN, 2% PEG4000, .25 M AMMONIUM PHOSPHATE, PH 8.0, 33% SATURATED AMMONIUM SULFATE
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein17 (mg/ml)
21dropPEG40001-4 (%)
31dropammonium sulfate0.25 (M)
41dropPPACK10:1 molar excess
51reservoirammonium sulfate32-34 (%)
61reservoir0.25 (M)

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