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7XCL

Crystal structure of trimethylamine methyltransferase MttB from Methanosarcina barkeri at 2.5 A resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSRRC BEAMLINE BL13B1
Synchrotron siteNSRRC
BeamlineBL13B1
Temperature [K]100
Detector technologyCCD
Collection date2019-04-10
DetectorADSC QUANTUM 315r
Wavelength(s)0.99984
Spacegroup nameP 32 2 1
Unit cell lengths175.492, 175.492, 300.996
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution20.000 - 2.500
Rwork0.174
R-free0.21770
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2qne
RMSD bond length0.007
RMSD bond angle1.256
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareCNS
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]20.00020.0002.540
High resolution limit [Å]2.5006.7002.500
Rmerge0.0910.0380.886
Rmeas0.1000.0410.982
Rpim0.0400.0150.409
Total number of observations932353
Number of reflections17240895188376
<I/σ(I)>7
Completeness [%]93.898.992.1
Redundancy5.46.75
CC(1/2)0.9980.747
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2831 ul protein (8 mg/mL MttB in 20 mM potassium phosphate buffer pH 7.4, 500 mM NaCl, 240 mM imidazole, 20% glycerol), 1 ul reservoir (4% MPD, 0.1 M citric acid pH 4.5) solutions

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