5RWG
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z17497990
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 | 2019-08-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91589 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.660, 79.650, 89.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.300 - 1.460 |
| R-factor | 0.1759 |
| Rwork | 0.174 |
| R-free | 0.20400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6xy7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.532 |
| 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] | 49.250 | 49.250 | 1.500 |
| High resolution limit [Å] | 1.460 | 6.530 | 1.460 |
| Rmerge | 0.128 | 0.048 | 1.925 |
| Rmeas | 0.139 | 0.053 | 2.088 |
| Rpim | 0.054 | 0.021 | 0.803 |
| Total number of observations | 514503 | 6456 | 38595 |
| Number of reflections | 78537 | ||
| <I/σ(I)> | 8.9 | 33.2 | 1 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 6.6 | 6.4 | 6.7 |
| CC(1/2) | 0.998 | 0.996 | 0.426 |
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 |
