5MW8
INOSITOL 1,3,4,5,6-PENTAKISPHOSPHATE 2-KINASE FROM M. MUSCULUS IN COMPLEX WITH ATP and IP5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979260 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.162, 71.495, 61.197 |
| Unit cell angles | 90.00, 111.37, 90.00 |
Refinement procedure
| Resolution | 56.990 - 2.400 |
| R-factor | 0.24252 |
| Rwork | 0.241 |
| R-free | 0.27117 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.220 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.500 | 2.900 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.073 | 0.528 |
| Number of reflections | 18528 | |
| <I/σ(I)> | 14.9 | 3.5 |
| Completeness [%] | 97.3 | 99.8 |
| Redundancy | 6.7 | 6.9 |
| CC(1/2) | 0.999 | 0.967 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | Magnesium Chloride, Sodium Acetate, PEG 6000 |
