7TN6
Crystal structure of Zea mays Inositol-tetrakisphosphate Kinase 1 mutant (ZmITPK1-H192A)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 98.161, 98.161, 202.430 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.740 - 2.850 |
R-factor | 0.2269 |
Rwork | 0.224 |
R-free | 0.27100 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.897 |
Data reduction software | xia2 |
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 | 2.900 |
High resolution limit [Å] | 2.850 | 7.730 | 2.850 |
Rmerge | 0.085 | 0.062 | 0.816 |
Rmeas | 0.089 | 0.065 | 0.848 |
Rpim | 0.025 | 0.020 | 0.228 |
Total number of observations | 180691 | ||
Number of reflections | 14039 | 829 | 678 |
<I/σ(I)> | 12 | ||
Completeness [%] | 98.6 | 97.9 | 98.8 |
Redundancy | 12.9 | 10.7 | 13.3 |
CC(1/2) | 0.991 | 0.915 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 12% PEG3350, 100mM HEPES 7.0, 200mM CaAc2 and 10% Glycerol |