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5ZNI

Plasmodium falciparum purine nucleoside phosphorylase in complex with mefloquine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron siteAustralian Synchrotron
BeamlineMX1
Temperature [K]100
Detector technologyCCD
Collection date2017-07-21
DetectorADSC QUANTUM 210r
Wavelength(s)1.000
Spacegroup nameH 3 2
Unit cell lengths95.591, 95.591, 136.571
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution25.940 - 2.300
R-factor0.1827
Rwork0.179
R-free0.24590
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1sq6
RMSD bond length0.014
RMSD bond angle1.746
Data reduction softwareXDS
Data scaling softwareAimless (0.5.32)
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0189)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]25.94025.9402.380
High resolution limit [Å]2.3008.9102.300
Rmerge0.0490.0250.090
Rmeas0.0540.0290.100
Rpim0.0230.0140.042
Total number of observations592916925949
Number of reflections108421741065
<I/σ(I)>21.629.510.5
Completeness [%]99.683.1100
Redundancy5.545.6
CC(1/2)0.9980.9980.997
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2930.2M magnesium formate

217705

數據於2024-03-27公開中

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