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7VXX

Zika virus NS2B/NS3 protease bZipro(C143S) in complex with 4-amino benzamidine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL18U1
Synchrotron siteSSRF
BeamlineBL18U1
Temperature [K]100
Detector technologyPIXEL
Collection date2019-05-22
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.9785
Spacegroup nameP 43 21 2
Unit cell lengths59.149, 59.149, 214.127
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.850 - 1.900
R-factor0.2052
Rwork0.203
R-free0.23980
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5lc0
Data reduction softwareHKL-3000
Data scaling softwareHKL-2000
Phasing softwarePHASER (2.7.17)
Refinement softwarePHENIX (1.17.1_3660)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]19.85019.8501.940
High resolution limit [Å]1.9008.9101.900
Rmerge0.1010.0371.592
Rmeas0.1030.0381.626
Rpim0.0210.0080.326
Total number of observations743617717049779
Number of reflections311183542029
<I/σ(I)>19.256.12.6
Completeness [%]99.991.6100
Redundancy23.920.324.5
CC(1/2)1.0001.0000.909
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.62930.2M ammonium sulfate, 30% polyethylene glycol monomethyl ether 2000, 0.1M sodium acetate trihydrate

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