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3D31

ModBC from Methanosarcina acetivorans

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]293.15
Detector technologyPIXEL
Collection date2007-09-16
DetectorPSI PILATUS 6M
Wavelength(s)0.9537, 0.9789, 1.2143, 1.2147
Spacegroup nameP 21 21 21
Unit cell lengths92.840, 139.460, 207.330
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000 - 3.000
Rwork0.251
R-free0.28200
Structure solution methodMAD
RMSD bond length0.009
RMSD bond angle1.607
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwareSHELX
Refinement softwareCNS (v. 1.2)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.000
High resolution limit [Å]3.0003.000
Rmerge0.140
Number of reflections42405
<I/σ(I)>14.4
Completeness [%]77.8
Redundancy19.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION8293.1518% (w/v) PEG 3350, 200mM magnesium formate, 50mM Tris-HCl pH 8.0, VAPOR DIFFUSION, temperature 293.15K

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