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7V4Z

Structure of Horcolin native form

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsELETTRA BEAMLINE 11.2C
Synchrotron siteELETTRA
Beamline11.2C
Temperature [K]100
Detector technologyPIXEL
Collection date2019-08-20
DetectorDECTRIS PILATUS3 6M
Wavelength(s)1.0
Spacegroup nameP 2 21 21
Unit cell lengths69.179, 94.419, 238.359
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution55.866 - 1.160
Rwork0.181
R-free0.19620
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1x1v
RMSD bond length0.018
RMSD bond angle1.974
Data reduction softwareiMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]59.8301.230
High resolution limit [Å]1.1601.160
Rmerge0.0920.420
Number of reflections51381669425
<I/σ(I)>8.92.5
Completeness [%]96.8
Redundancy5.1
CC(1/2)0.9900.876
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1MICROBATCH2930.2 M Magnesium chloride hexahydrate, 0.1 M TRIS hydrochloride pH 8.5, 30% w/v Polyethylene glycol 4,000

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