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1AVT

SUBTILISIN CARLSBERG D-PARA-CHLOROPHENYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX

Experimental procedure
Source typeSYNCHROTRON
Source detailsCHESS BEAMLINE F1
Synchrotron siteCHESS
BeamlineF1
Temperature [K]287
Detector technologyIMAGE PLATE
Collection date1993-11
DetectorFUJI
Spacegroup nameP 21 21 21
Unit cell lengths53.000, 55.400, 76.600
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution8.000 - 2.000
R-factor0.157
Rwork0.157
R-free0.22600
Structure solution methodISOSTRUCTURAL TO 1SCA
Starting model (for MR)1sca
RMSD bond length0.009
RMSD bond angle24.700

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Data reduction softwareDENZO
Data scaling softwareXSCALE
Phasing softwareX-PLOR (3.1)
Refinement softwareX-PLOR (3.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.090
High resolution limit [Å]2.0002.000
Rmerge0.0820.083
Number of reflections15092
<I/σ(I)>147
Completeness [%]96.094.3
Redundancy1.71.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Batch method

*

5.6

*

Petsko, G.A., (1976) J.Mol.Biol., 106, 453.

*

Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
111protein0.5 (%)
211aqueous sodium sulfate17 (%)

217705

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