5BON
Crystal structure of human Nudt15 (MTH2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-15 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9 |
Spacegroup name | P 1 |
Unit cell lengths | 60.830, 71.676, 82.768 |
Unit cell angles | 90.07, 90.04, 73.08 |
Refinement procedure
Resolution | 47.598 - 1.799 |
R-factor | 0.194 |
Rwork | 0.193 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zr0 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.932 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (dev_1631) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.500 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.035 | 0.747 |
Number of reflections | 118878 | |
<I/σ(I)> | 12.95 | 1.4 |
Completeness [%] | 95.8 | 93.9 |
Redundancy | 1.8 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 291.2 | Full 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. |