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5BON

Crystal structure of human Nudt15 (MTH2)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.1
Synchrotron siteBESSY
Beamline14.1
Temperature [K]100
Detector technologyCCD
Collection date2014-03-15
DetectorMARRESEARCH
Wavelength(s)0.9
Spacegroup nameP 1
Unit cell lengths60.830, 71.676, 82.768
Unit cell angles90.07, 90.04, 73.08
Refinement procedure
Resolution47.598 - 1.799
R-factor0.194
Rwork0.193
R-free0.22000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3zr0
RMSD bond length0.004
RMSD bond angle0.932
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwarePHENIX (dev_1631)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.5001.900
High resolution limit [Å]1.8001.800
Rmerge0.0350.747
Number of reflections118878
<I/σ(I)>12.951.4
Completeness [%]95.893.9
Redundancy1.81.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION7.5291.2Full length NUDT15 (20 mg/ml) was crystallized in the presence of alpha-Chymotrypsin (0.2 mg/ml) in 20 mM HEPES, pH 7.5, 300 mM NaCl, 10% Glycerol, and 1 mM TCEP. Sitting drop vapour diffusion experiments at 18 degrees C were performed, and NUDT15 was mixed with reservoir solution (30% PEG3350, 0.1 M Tris pH 8.5, and 0.05 M MgCl) in a 1:1 or 1:2 ratio.

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