7TN5
Crystal structure of Zea mays Inositol-tetrakisphosphate Kinase 1 (ITPK1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-12-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 98.883, 98.883, 215.915 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.490 - 2.900 |
R-factor | 0.1797 |
Rwork | 0.177 |
R-free | 0.22660 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.794 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.950 |
High resolution limit [Å] | 2.900 | 7.860 | 2.900 |
Rmerge | 0.068 | 0.022 | 0.873 |
Rmeas | 0.071 | 0.023 | 0.907 |
Rpim | 0.019 | 0.007 | 0.245 |
Total number of observations | 188525 | ||
Number of reflections | 14458 | 827 | 700 |
<I/σ(I)> | 12.7 | ||
Completeness [%] | 98.4 | 94.7 | 99.6 |
Redundancy | 13 | 11.4 | 13 |
CC(1/2) | 0.998 | 0.931 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 1 M potassium sodium tartrate, 100 mM imidazole, pH 8.0, 200 mM sodium chloride |