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4L5T

Crystal structure of the tetrameric p202 HIN2

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 24-ID-C
Synchrotron siteAPS
Beamline24-ID-C
Temperature [K]100
Detector technologyPIXEL
Collection date2012-06-24
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.9792
Spacegroup nameP 1 21 1
Unit cell lengths61.892, 71.860, 95.465
Unit cell angles90.00, 102.38, 90.00
Refinement procedure
Resolution46.388 - 3.405
R-factor0.2122
Rwork0.206
R-free0.26820
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)PDB IDs 2OQ0 and 3B6Y
RMSD bond length0.007
RMSD bond angle1.119
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER (2.4.0)
Refinement softwarePHENIX (1.8.2_1309)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0003.520
High resolution limit [Å]3.4007.3203.400
Rmerge0.2100.1160.872
<I/σ(I)>4.2
Completeness [%]98.69898.6
Redundancy6.76.66.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.529322-25% PEG 3350, 0.1 M Tris pH 8.5 and 0.2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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