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4UTG

Burkholderia pseudomallei heptokinase WcbL,AMPPNP (ATP analogue) complex.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2014-05-06
DetectorDECTRIS PILATUS
Spacegroup nameC 2 2 21
Unit cell lengths101.440, 115.020, 166.780
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution76.080 - 1.930
R-factor0.19637
Rwork0.194
R-free0.24160
Structure solution methodSAD
Starting model (for MR)NONE
RMSD bond length0.009
RMSD bond angle1.323
Data reduction softwarexia2
Data scaling softwareAimless
Phasing softwareSHELX
Refinement softwareREFMAC (5.8.0073)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]76.0801.980
High resolution limit [Å]1.9301.930
Rmerge0.0800.790
Number of reflections72694
<I/σ(I)>12.82.1
Completeness [%]99.696.7
Redundancy6.56.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
170.5 M NACL, 10 MM HEPES PH 7, 25 MM AMPPNP

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