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3ASG

MamA D159K mutant 2

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyCCD
Collection date2010-05-13
DetectorADSC QUANTUM 315r
Wavelength(s)0.979
Spacegroup nameP 21 21 21
Unit cell lengths44.570, 76.471, 104.587
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution31.720 - 2.330
R-factor0.2067
Rwork0.204
R-free0.25940
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3as5
RMSD bond length0.017
RMSD bond angle1.516
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.390
High resolution limit [Å]2.3306.3702.350
Rmerge0.1230.0470.483
Number of reflections15590
<I/σ(I)>8
Completeness [%]98.698.598.7
Redundancy5.254.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.5286MgCl, PEG 3350, Tris, NaCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 286K

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