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9H4Z

NNMT-SAM IN COMPLEX WITH 3b

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID30B
Synchrotron siteESRF
BeamlineID30B
Temperature [K]100
Detector technologyPIXEL
Collection date2017-07-07
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97625
Spacegroup nameP 21 21 21
Unit cell lengths62.010, 69.720, 115.190
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.340 - 1.410
R-factor0.191
Rwork0.190
R-free0.21700
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.080
Data reduction softwareautoPROC
Data scaling softwareXSCALE
Phasing softwareBUSTER
Refinement softwareBUSTER (2.11.7)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]46.3001.460
High resolution limit [Å]1.4101.410
Number of reflections955031851
<I/σ(I)>11.7
Completeness [%]98.9
Redundancy5.6
CC(1/2)1.0000.440
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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