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5QAR

OXA-48 IN COMPLEX WITH COMPOUND 23a

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyPIXEL
Collection date2017-04-24
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.984
Spacegroup nameP 21 21 21
Unit cell lengths89.818, 108.080, 124.060
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution49.540 - 2.100
Rwork0.215
R-free0.24960
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR): 5dtk
RMSD bond length0.005
RMSD bond angle0.625
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.11.1_2575)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]49.5402.170
High resolution limit [Å]2.1002.100
Rmerge0.0800.461
Rmeas0.0900.530
Number of reflections27813
<I/σ(I)>8.792.41
Completeness [%]96.6
Redundancy4.14
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52980.1 M HEPES pH 7.5, 8-11% PEG 8000 and 4-8% 1-butanol

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