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4U8D

X-ray structure of Mg-bound human sorcin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsELETTRA BEAMLINE 5.2R
Synchrotron siteELETTRA
Beamline5.2R
Temperature [K]100
Detector technologyPIXEL
Collection date2013-12-10
DetectorDECTRIS PILATUS 2M
Wavelength(s)1.0000
Spacegroup nameP 43 21 2
Unit cell lengths117.832, 117.832, 86.880
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.760 - 2.300
R-factor0.1998
Rwork0.197
R-free0.24860
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4upg
RMSD bond length0.012
RMSD bond angle1.458
Data reduction softwareXDS (January 10, 2014)
Data scaling softwareAimless (0.2.8)
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0073)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]48.76048.7602.380
High resolution limit [Å]2.3008.9102.300
Rmerge0.0990.0200.938
Rpim0.0290.0060.278
Total number of observations356554650232018
Number of reflections27800
<I/σ(I)>2496.12.9
Completeness [%]99.999.598.9
Redundancy12.811.412.1
CC(1/2)0.9991.0000.880
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.5293PEG 8000 10%, Mg(OAc)2 0.2M, cacodylate 0.1M pH 6.5

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