6G4G
Full length ectodomain of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) including the SMB domains but with a partially disordered active site structure
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 | 2012-09-12 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 |
| Unit cell lengths | 76.360, 116.300, 124.160 |
| Unit cell angles | 86.77, 87.76, 88.20 |
Refinement procedure
| Resolution | 47.220 - 2.800 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xr9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data reduction software | DIALS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.220 | 3.040 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.080 | 0.789 |
| Number of reflections | 68486 | |
| <I/σ(I)> | 9.239 | 1.268 |
| Completeness [%] | 65.2 | 14.8 |
| Redundancy | 2.4 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 0.2 M tri-ammonium citrate pH 7.0, 20% (w/v) PEG 3350, grown after 3 month |
