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4RVA

A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for deacylation

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 5.0.1
Synchrotron siteALS
Beamline5.0.1
Temperature [K]200
Detector technologyCCD
Collection date2014-01-30
DetectorADSC QUANTUM 315r
Wavelength(s)0.997
Spacegroup nameP 21 21 21
Unit cell lengths59.045, 59.505, 86.260
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.981 - 1.440
R-factor0.1692
Rwork0.168
R-free0.19360
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1btl
RMSD bond length0.007
RMSD bond angle1.087
Data reduction softwareMOSFLM
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX ((phenix.refine: dev_1819))
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]59.51059.5101.460
High resolution limit [Å]1.4407.8901.440
Rmerge0.0290.597
Number of reflections55742
<I/σ(I)>47.42.5
Completeness [%]99.999.599.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.529820% PEG 3350, 0.2M sodium citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

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