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8RQU

Structure of TEM1 beta-lactamase variant 70.a

Replaces:  8OF9
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 24-ID-C
Synchrotron siteAPS
Beamline24-ID-C
Temperature [K]100
Detector technologyPIXEL
Collection date2023-03-01
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.97918
Spacegroup nameP 43
Unit cell lengths114.618, 114.618, 48.882
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution41.900 - 2.900
R-factor0.222
Rwork0.220
R-free0.26580
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.205
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]41.9003.090
High resolution limit [Å]2.9002.900
Rmerge0.249
Rpim0.084
Number of reflections143552300
<I/σ(I)>9
Completeness [%]99.8
Redundancy10.2
CC(1/2)0.9470.347
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.52880.02M Divalent II, 0.1M buffer system 6, pH 8.5, 30% precipitant mix 7 (Morpheus II screen B9)

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