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4NZO

Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 2,5-DI-O-BN-INSP4

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-BM
Synchrotron siteAPS
Beamline22-BM
Temperature [K]100
Detector technologyCCD
Collection date2013-07-27
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)1.0
Spacegroup nameP 21 21 21
Unit cell lengths89.110, 111.133, 41.299
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution35.530 - 1.900
R-factor0.1812
Rwork0.179
R-free0.21542
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)3t9b
RMSD bond length0.010
RMSD bond angle1.545
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareCCP4
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.930
High resolution limit [Å]1.9001.900
Number of reflections33324
<I/σ(I)>29.33.7
Completeness [%]99.999.6
Redundancy7.26.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP727712% (w/v) PEG 3350, 20 mM MgCl2, 0.1 M HEPES, pH 7.0, 1 mM AMPPNP with 2 mM CdCl2 Soaking under 22% PEG3350, 10 mM MgCl2 0.1 M HEPES, pH7.0 with 10 mM 2, 5-di-O-Bn-InsP4, 3 days, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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