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7TI2

Structure of KPC-2 bound to RPX-7063 at 1.75A

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU FR-E+ SUPERBRIGHT
Temperature [K]100
Detector technologyCCD
Collection date2012-08-06
DetectorRIGAKU SATURN 944+
Wavelength(s)1.54
Spacegroup nameP 41
Unit cell lengths80.100, 80.100, 44.760
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution40.050 - 1.750
R-factor0.1584
Rwork0.157
R-free0.17930
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2ov5
RMSD bond length0.005
RMSD bond angle1.007
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX (dev 2050)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.800
High resolution limit [Å]1.7507.8301.750
Rmerge0.0490.0230.254
Rmeas0.0550.0250.319
Number of reflections284643592080
<I/σ(I)>21.365.183.61
Completeness [%]98.498.997.2
Redundancy4.636.822.63
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP929826.8 mg/ml KPC-2 R4327, 2M NaCl, 100mM Bicine pH9; co-crystallization

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