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4YAC

Crystal structure of LigO in complex with NADH 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 date2013-08-28
DetectorADSC QUANTUM 315r
Wavelength(s)0.97741
Spacegroup nameP 32 2 1
Unit cell lengths79.298, 79.298, 71.973
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution34.728 - 1.699
R-factor0.1759
Rwork0.174
R-free0.19940
RMSD bond length0.004
RMSD bond angle0.900
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwarePHENIX (dev_1839)
Data quality characteristics
 Overall
Low resolution limit [Å]34.728
High resolution limit [Å]1.600
Number of reflections29261
<I/σ(I)>17.29
Completeness [%]100.0
Redundancy3.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2980.1 M Ammonium Citrate, 0.1 M MES pH 5.5, 20% PEG 3,350, 5% Isopropanol

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