5RY0
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z275165822
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 | 62.498, 78.868, 89.179 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.230 - 1.980 |
| R-factor | 0.16 |
| Rwork | 0.158 |
| R-free | 0.20410 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6xy7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.499 |
| 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] | 51.150 | 51.150 | 2.030 |
| High resolution limit [Å] | 1.980 | 8.860 | 1.980 |
| Rmerge | 0.417 | 0.068 | 2.071 |
| Rmeas | 0.458 | 0.074 | 2.288 |
| Rpim | 0.186 | 0.029 | 0.955 |
| Total number of observations | 192298 | 2597 | 13649 |
| Number of reflections | 31383 | ||
| <I/σ(I)> | 8.2 | 15.7 | 4 |
| Completeness [%] | 99.9 | 99.8 | 99.7 |
| Redundancy | 6.1 | 6.1 | 6 |
| CC(1/2) | 0.955 | 0.996 | 0.321 |
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 |
