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6WGP

The crystal structure of a beta lactamase from Xanthomonas campestris pv. campestris str. ATCC 33913

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]100
Detector technologyPIXEL
Collection date2020-03-04
DetectorDECTRIS PILATUS3 S 6M
Wavelength(s)0.97918
Spacegroup nameC 1 2 1
Unit cell lengths97.262, 66.894, 43.895
Unit cell angles90.00, 112.66, 90.00
Refinement procedure
Resolution44.880 - 1.500
R-factor0.1608
Rwork0.160
R-free0.18600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5x5g
RMSD bond length0.009
RMSD bond angle1.024
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareHKL-3000
Refinement softwarePHENIX (1.17.1_3660)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]45.0001.530
High resolution limit [Å]1.5001.500
Rmerge0.1020.483
Rmeas0.1140.565
Rpim0.0500.282
Number of reflections404331682
<I/σ(I)>32.32.25
Completeness [%]97.480.9
Redundancy5.13
CC(1/2)0.9890.788
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP72890.2 M sodium chloride 0.1 M Tris:HCl 1.0 M sodium citrate

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