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5O2F

Crystal structure of NDM-1 in complex with hydrolyzed ampicillin - new refinement

Replaces:  4RL2
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU FR-E SUPERBRIGHT
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2012-02-18
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths38.620, 77.570, 132.310
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution38.785 - 2.010
R-factor0.13451
Rwork0.132
R-free0.18216
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3q6x
RMSD bond length0.011
RMSD bond angle1.453
Data reduction softwareCrystalClear
Data scaling softwareSCALA
Phasing softwarePHASES
Refinement softwareREFMAC (5.8.0135)
Data quality characteristics
 Overall
Low resolution limit [Å]38.785
High resolution limit [Å]2.008
Number of reflections26843
Completeness [%]99.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.829528% (w/v) PEG3350, 0.1 M Bis-Tris, pH 5.8 and 0.2 M ammonium sulfate

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