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1XX2

Refinement of P99 beta-lactamase from Enterobacter cloacae

Replaces:  2BLT
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]298
Detector technologyAREA DETECTOR
Collection date1992-02-29
DetectorSIEMENS HI-STAR
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths46.500, 83.470, 95.460
Unit cell angles90.00, 90.01, 90.00
Refinement procedure
Resolution10.000 - 1.880
Rwork0.175
R-free0.21400
Structure solution methodMIR
Starting model (for MR)2BLT
RMSD bond length0.007
RMSD bond angle1.440
Data reduction softwareX-GEN
Data scaling softwareX-GEN
Phasing softwarePHASES
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]100.0001.970
High resolution limit [Å]1.8601.860
Rmerge0.0390.274
Number of reflections51415
<I/σ(I)>40.52.7
Completeness [%]0.90.537
Redundancy2.51.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION298PEG 8000, SODIUM CACODYLATE, MgCl2, NaN3, pH 6.5 - 8.5, VAPOR DIFFUSION, temperature 298K

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