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6AGS

Structural insights for non-natural cofactor binding by the L310R/Q401C mutant of malic enzyme from Escherichia coli

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL18U1
Synchrotron siteSSRF
BeamlineBL18U1
Temperature [K]100
Detector technologyPIXEL
Collection date2018-03-20
DetectorDECTRIS PILATUS3 S 6M
Wavelength(s)0.988
Spacegroup nameP 43 21 2
Unit cell lengths80.570, 80.570, 209.966
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution40.320 - 2.310
R-factor0.19973
Rwork0.197
R-free0.24389
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2aw5
RMSD bond length0.015
RMSD bond angle1.574
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.040
High resolution limit [Å]2.0002.000
Rpim0.344
Number of reflections47534
<I/σ(I)>26.11.6
Completeness [%]99.899.4
Redundancy13.410.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.62970.7 M Lithium chloride,0.1 M Citric acid pH 4.6, 7% PEG 6000

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