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5I63

Crystal structure of TEM1 beta-lactamase mutant I263N in the presence of 1.2 MPa xenon

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL14-1
Synchrotron siteSSRL
BeamlineBL14-1
Temperature [K]100
Detector technologyCCD
Collection date2015-12-08
DetectorMARMOSAIC 325 mm CCD
Wavelength(s)1.181
Spacegroup nameP 1 21 1
Unit cell lengths60.070, 84.200, 96.220
Unit cell angles90.00, 89.97, 90.00
Refinement procedure
Resolution60.070 - 1.950
R-factor0.1873
Rwork0.184
R-free0.22240
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5hvi
RMSD bond length0.005
RMSD bond angle0.849
Data reduction softwareMOSFLM
Data scaling softwareAimless (0.5.17)
Phasing softwarePHASER
Refinement softwarePHENIX (1.9_1692)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]63.36063.3602.000
High resolution limit [Å]1.9509.1501.950
Rmerge0.1520.0590.587
Rmeas0.177
Rpim0.091
Total number of observations258898
Number of reflections68222
<I/σ(I)>7.2
Completeness [%]97.898.796.3
Redundancy3.83.63.8
CC(1/2)0.985
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2940.2 M sodium formate (pH 7.0), 20% (w/v) PEG 3350

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