5RYA
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1741973467
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 | 2019-11-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91188 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.338, 79.014, 89.115 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.120 - 1.320 |
R-factor | 0.1805 |
Rwork | 0.179 |
R-free | 0.20640 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6xy7 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.621 |
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] | 59.120 | 59.120 | 1.390 |
High resolution limit [Å] | 1.320 | 4.170 | 1.320 |
Rmerge | 0.098 | 0.031 | 1.968 |
Rmeas | 0.107 | 0.034 | 2.155 |
Rpim | 0.042 | 0.013 | 0.869 |
Total number of observations | 676873 | 21919 | 90633 |
Number of reflections | 104067 | ||
<I/σ(I)> | 9.9 | 41.4 | 0.8 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 6.5 | 6.2 | 6 |
CC(1/2) | 0.999 | 0.999 | 0.391 |
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 |