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3L87

The Crystal Structure of smu.143c from Streptococcus mutans UA159

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsBRUKER AXS MICROSTAR-H
Temperature [K]100
Detector technologyCCD
Collection date2009-03-30
DetectorBRUKER SMART 6000
Wavelength(s)1.54
Spacegroup nameP 21 21 21
Unit cell lengths47.589, 55.621, 85.778
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.670 - 2.000
R-factor0.21863
Rwork0.215
R-free0.28524
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2os3
RMSD bond length0.019
RMSD bond angle1.769
Data reduction softwarePROTEUM PLUS (PLUS)
Data scaling softwarePROTEUM PLUS (PLUS)
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]55.6402.270
High resolution limit [Å]2.0002.000
Number of reflections10849
Completeness [%]68.030.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.528920% PEG 3350 , 0.1M HEPES pH7.5, 0.1M Lithium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 289K

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