5RW6
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434816
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 | 62.680, 79.510, 89.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.880 - 1.320 |
| R-factor | 0.1771 |
| Rwork | 0.176 |
| R-free | 0.19990 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6xy7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.631 |
| 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] | 44.840 | 44.840 | 1.350 |
| High resolution limit [Å] | 1.320 | 5.900 | 1.320 |
| Rmerge | 0.121 | 0.089 | 1.684 |
| Rmeas | 0.132 | 0.097 | 1.865 |
| Rpim | 0.051 | 0.038 | 0.787 |
| Total number of observations | 680452 | 8360 | 42277 |
| Number of reflections | 105760 | ||
| <I/σ(I)> | 7.7 | 21 | 1 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 6.4 | 6.3 | 5.5 |
| CC(1/2) | 0.995 | 0.989 | 0.410 |
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 |
