3T99
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and in the absence of cadmium at pH 7.0
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 | 2010-12-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97127 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 90.974, 110.000, 41.701 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.23169 |
| Rwork | 0.229 |
| R-free | 0.27433 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.294 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.100 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 24341 | |
| <I/σ(I)> | 31.3 | 2.9 |
| Completeness [%] | 96.4 | 77.3 |
| Redundancy | 7.6 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 12% (w/v) PEG 3350, 20 mM MgCl2, 0.1 M HEPES, 1 mM ATP, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
