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6T7K

Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2019-06-23
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)0.91587
Spacegroup nameP 32 2 1
Unit cell lengths102.999, 102.999, 126.831
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution51.685 - 1.790
R-factor0.1718
Rwork0.171
R-free0.19350
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4q15
RMSD bond length0.014
RMSD bond angle1.184
Data reduction softwareXDS
Data scaling softwareAimless (0.7.4)
Phasing softwarePHASER (2.8.0)
Refinement softwarePHENIX (1.12)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]89.20089.2001.840
High resolution limit [Å]1.7908.0101.790
Rmerge0.0770.0311.703
Rmeas0.0790.0321.757
Rpim0.0180.0080.430
Total number of observations14117701691290086
Number of reflections737259365428
<I/σ(I)>18.168.91.2
Completeness [%]100.099.9100
Redundancy19.118.116.6
CC(1/2)0.9960.9810.843
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.5293.150.1 M Hepes pH 7.5 20% PEG 1000, 2 mM Pro

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