5RYK
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1346370629
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91589 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.430, 79.190, 89.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.070 - 1.550 |
| R-factor | 0.1956 |
| Rwork | 0.194 |
| R-free | 0.22180 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6xy7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.497 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.030 | 49.030 | 1.590 |
| High resolution limit [Å] | 1.550 | 6.930 | 1.550 |
| Rmerge | 0.206 | 0.059 | 1.637 |
| Rmeas | 0.224 | 0.064 | 1.800 |
| Rpim | 0.088 | 0.026 | 0.739 |
| Total number of observations | 418795 | 5102 | 27686 |
| Number of reflections | 64873 | ||
| <I/σ(I)> | 6.8 | 23.3 | 1 |
| Completeness [%] | 99.9 | 99.7 | 99.8 |
| Redundancy | 6.5 | 6.1 | 5.9 |
| CC(1/2) | 0.993 | 0.997 | 0.598 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 30 mM sodium nitrate, 30 mM dibasic sodium phosphate, 30 mM ammonium sulfate, 100 mM MES/imidazole, pH 6.5, 20% PEG500 MME, 10% PEG20000 |
