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2V7M

PrnB 7-Cl-D-tryptophan complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSRS BEAMLINE PX14.1
Synchrotron siteSRS
BeamlinePX14.1
Temperature [K]100
Detector technologyCCD
DetectorADSC CCD
Spacegroup nameC 1 2 1
Unit cell lengths68.517, 79.547, 93.162
Unit cell angles90.00, 103.63, 90.00
Refinement procedure
Resolution48.390 - 2.000
R-factor0.173
Rwork0.171
R-free0.19900
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2v7j
RMSD bond length0.010
RMSD bond angle1.138
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]51.0002.100
High resolution limit [Å]2.0002.000
Rmerge0.0600.440
Number of reflections30563
<I/σ(I)>132
Completeness [%]96.083
Redundancy2.61.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17.5pH 7.5

218853

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