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6SIY

PaaK family AMP-ligase with AMP and substrate

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2018-05-18
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97625
Spacegroup nameC 2 2 21
Unit cell lengths107.373, 138.584, 130.414
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution69.290 - 1.950
R-factor0.1883
Rwork0.186
R-free0.22870
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6siw
RMSD bond length0.006
RMSD bond angle1.455
Data reduction softwarexia2
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0253)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]69.2901.980
High resolution limit [Å]1.9501.950
Rmerge0.0600.841
Number of reflections708863771
<I/σ(I)>13.21.4
Completeness [%]100.099.6
Redundancy7.16.5
CC(1/2)0.9990.510
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2930.2 M KSCN, 0.1 M sodium citrate pH 6.0, 30% PEG MME 2K

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