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3MZD

Structure of penicillin-binding protein 5 from E. coli: cloxacillin acyl-enzyme complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RUH3R
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2001-12-07
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.5418
Spacegroup nameC 1 2 1
Unit cell lengths109.840, 50.230, 84.030
Unit cell angles90.00, 119.93, 90.00
Refinement procedure
Resolution54.000 - 1.900
R-factor0.216
Rwork0.214
R-free0.25700
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1nzo
RMSD bond length0.011
RMSD bond angle1.374
Data reduction softwared*TREK
Data scaling softwared*TREK
Phasing softwareCNS
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]54.0001.970
High resolution limit [Å]1.9001.900
Rmerge0.0730.336
Number of reflections30737
<I/σ(I)>72
Completeness [%]97.578.5
Redundancy4.93.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7294100 MM TRIS PH 7.0, 8 % PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 294K

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