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3QS1

Crystal structure of KNI-10006 complex of Plasmepsin I (PMI) from Plasmodium falciparum

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2009-09-20
DetectorMAR scanner 300 mm plate
Wavelength(s)1.0000
Spacegroup nameP 43
Unit cell lengths93.690, 93.690, 160.120
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000 - 3.100
R-factor0.21544
Rwork0.211
R-free0.29965
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.021
RMSD bond angle2.161
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0104)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0003.200
High resolution limit [Å]3.1003.100
Rmerge0.1440.164
Number of reflections24816
<I/σ(I)>11.81.2
Completeness [%]99.098.5
Redundancy5.85.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.529325 % PEG 2000 MME, 0.1 M MES buffer, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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