6F30
Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with UDPGlcNAc
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 | PIXEL |
Collection date | 2014-05-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91841 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 75.270, 127.682, 113.414 |
Unit cell angles | 90.00, 97.14, 90.00 |
Refinement procedure
Resolution | 37.510 - 2.300 |
R-factor | 0.197 |
Rwork | 0.196 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xr9 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.950 |
Data reduction software | XDS |
Data scaling software | Aimless (1.6.18) |
Phasing software | REFMAC (5.7.0029) |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.510 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rpim | 0.087 | |
Number of reflections | 94004 | |
<I/σ(I)> | 9.9 | |
Completeness [%] | 99.7 | |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 292 | 0.2 M KCl, 0.1 M MgAcetate, 0.05 NaCacodylate pH 6.0, 10.2% (w/v) PEG8000, 1 mM CaCl2, 0.1 mM ZnSO4 |