5RWL
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1348371854
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 | 62.720, 79.770, 89.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.590 - 1.370 |
| R-factor | 0.1809 |
| Rwork | 0.179 |
| R-free | 0.20730 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6xy7 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.625 |
| 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] | 59.590 | 59.590 | 1.410 |
| High resolution limit [Å] | 1.370 | 6.130 | 1.370 |
| Rmerge | 0.134 | 0.075 | 1.641 |
| Rmeas | 0.146 | 0.082 | 1.798 |
| Rpim | 0.057 | 0.033 | 0.727 |
| Total number of observations | 616315 | 7270 | 41513 |
| Number of reflections | 94975 | ||
| <I/σ(I)> | 7.6 | 22 | 1 |
| Completeness [%] | 99.9 | 99.7 | 99.9 |
| Redundancy | 6.5 | 6 | 6 |
| CC(1/2) | 0.994 | 0.993 | 0.422 |
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 |
