6AEL
Crystal structure of ENPP1 in complex with 3'3'-cGAMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-12 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.169, 94.063, 74.274 |
| Unit cell angles | 90.00, 95.93, 90.00 |
Refinement procedure
| Resolution | 47.000 - 1.900 |
| R-factor | 0.168 |
| Rwork | 0.166 |
| R-free | 0.20200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gtw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.871 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.078 | 0.751 |
| Number of reflections | 57243 | 57214 |
| <I/σ(I)> | 9.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16% PEG3350, 0.1 M Bis-Tris propane, pH 8.5, 0.2 M NaBr and 0.1 M MgCl2 |
