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Crystal structure of LigL in complex with NADH and GGE from Sphingobium sp. strain SYK-6

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.2.2
Synchrotron siteALS
Beamline8.2.2
Temperature [K]100
Detector technologyCCD
Collection date2013-09-29
DetectorADSC QUANTUM 315r
Wavelength(s)0.97741
Spacegroup nameC 1 2 1
Unit cell lengths125.719, 72.714, 58.874
Unit cell angles90.00, 105.17, 90.00
Refinement procedure
Resolution50.000 - 1.600
R-factor0.1404
Rwork0.140
R-free0.16110
RMSD bond length0.006
RMSD bond angle1.122
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwarePHENIX (1.8.4_1496)
Data quality characteristics
 Overall
Low resolution limit [Å]50.000
High resolution limit [Å]1.600
Number of reflections67529
<I/σ(I)>29.8
Completeness [%]100.0
Redundancy3.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.52980.2 M Magnesium Chloride, 0.1 M Hepes pH 7.5, 25% PEG 3,350

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