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9H5O

NNMT-SAM IN COMPLEX WITH 20s

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I24
Synchrotron siteDiamond
BeamlineI24
Temperature [K]100
Detector technologyPIXEL
Collection date2018-07-16
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.96860
Spacegroup nameP 21 21 21
Unit cell lengths62.280, 69.710, 114.530
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.040 - 1.900
R-factor0.255
Rwork0.254
R-free0.28300
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle0.970
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareBUSTER
Refinement softwareBUSTER (2.11.7)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]44.3001.670
High resolution limit [Å]1.6301.630
Number of reflections40039818
<I/σ(I)>4.7
Completeness [%]100.0
Redundancy6.1
CC(1/2)0.9900.890
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29332% PEG3350, 0.2 M NaAc, and 0.1 M Hepes pH 6.8-7.5

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