8PDI
The phosphatase and C2 domains of SHIP1 with covalent Z1763271112
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-24 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.498, 78.993, 89.289 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.163 - 1.300 |
| Rwork | 0.146 |
| R-free | 0.19050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.779 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.500 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.096 | |
| Rpim | 0.040 | 0.998 |
| Number of reflections | 109198 | 5345 |
| <I/σ(I)> | 11.6 | 0.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.7 | 12.3 |
| CC(1/2) | 1.000 | 0.581 |
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 sulphate, 100 mM MES/imidazole 20 % PEG 500 MME, 10% PEG 20,000 |
