8OXE
Inositol 1,3,4-trisphosphate 5/6-kinase 1 from Solanum tuberosum (StITPK1) in complex with ADP/Mg2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 89.610, 140.770, 55.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.590 - 2.260 |
| R-factor | 0.1923 |
| Rwork | 0.190 |
| R-free | 0.24060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.233 |
| Data reduction software | careless |
| Data scaling software | careless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.590 | 2.340 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.200 | |
| Rmeas | 0.209 | |
| Rpim | 0.043 | |
| Number of reflections | 519292 | 50938 |
| <I/σ(I)> | 20.82 | |
| Completeness [%] | 99.7 | 99.21 |
| Redundancy | 20 | 15 |
| CC(1/2) | 0.998 | 0.868 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289 | 0.2 M calcium chloride dihydrate, 0.1 M MES pH 6.0, 20% (w/v) PEG 6000 |
