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6CYU

Crystal structure of CTX-M-14 S70G/N106S/D240G beta-lactamase in complex with hydrolyzed cefotaxime

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 5.0.1
Synchrotron siteALS
Beamline5.0.1
Temperature [K]100
Detector technologyPIXEL
Collection date2015-02-27
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.977408
Spacegroup nameP 32 2 1
Unit cell lengths41.399, 41.399, 230.610
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution35.427 - 1.820
R-factor0.1595
Rwork0.157
R-free0.19970
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1ylt
RMSD bond length0.006
RMSD bond angle0.819
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwarePHENIX ((dev_3071: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.4271.850
High resolution limit [Å]1.8201.820
Rmerge0.0550.106
Number of reflections21719
<I/σ(I)>25.6
Completeness [%]99.8
Redundancy4.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2960.2 M MgCl2, 20% (w/v) PEG 3350

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