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4B12

Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 23)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I02
Synchrotron siteDiamond
BeamlineI02
Temperature [K]100
Detector technologyCCD
Collection date2011-07-11
DetectorADSC QUANTUM 315
Spacegroup nameP 21 21 21
Unit cell lengths57.470, 121.920, 178.250
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution54.760 - 1.790
R-factor0.18767
Rwork0.185
R-free0.23856
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4b10
RMSD bond length0.022
RMSD bond angle2.113
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.7.0025)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]55.0001.840
High resolution limit [Å]1.7901.790
Rmerge0.1100.660
Number of reflections118372
<I/σ(I)>14.53
Completeness [%]100.0100
Redundancy7.27.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.50.2 M AMMONIUM SULPHATE, 24-26 % PEG 3350, 0.1 M BISTRIS PH 6.0 - 6.5

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