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2NYP

Structure of beta-lactamase II from Bacillus cereus. R121H, C221D doble mutant with two zinc ions.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsLNLS BEAMLINE D03B-MX1
Synchrotron siteLNLS
BeamlineD03B-MX1
Temperature [K]100
Detector technologyCCD
Collection date2006-02-14
DetectorMAR CCD 165 mm
Wavelength(s)1.42
Spacegroup nameC 1 2 1
Unit cell lengths52.464, 61.023, 68.710
Unit cell angles90.00, 92.92, 90.00
Refinement procedure
Resolution68.680 - 1.840
R-factor0.182
Rwork0.179
R-free0.24100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1bc2
RMSD bond length0.015
RMSD bond angle1.566
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareAMoRE
Refinement softwareREFMAC (5.2.0005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.910
High resolution limit [Å]1.8401.840
Number of reflections18461
<I/σ(I)>12.42.9
Completeness [%]97.686.3
Redundancy2.62.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.42950.1 M sodium cacodylate,60 mM sodium tartrate, 18% PEG 3350, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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