6XY7
Human SHIP1 with magnesium and phosphate bound to the active site
This is a non-PDB format compatible entry.
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 | 2019-08-04 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.8266 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.500, 79.088, 89.255 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.193 - 1.086 |
| Rwork | 0.136 |
| R-free | 0.15870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5okm |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.702 |
| Data reduction software | DIALS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.193 | 1.140 |
| High resolution limit [Å] | 1.086 | 1.093 |
| Rmerge | 0.152 | 2.190 |
| Rmeas | 0.155 | 2.246 |
| Rpim | 0.030 | 0.480 |
| Number of reflections | 159826 | 7907 |
| <I/σ(I)> | 11.7 | 1.4 |
| Completeness [%] | 87.6 | 59.6 |
| Redundancy | 26.9 | 20.7 |
| CC(1/2) | 0.998 | 0.601 |
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, pH 6.5, 20 % PEG 500 MME, 10% PEG 20,000 |
