5W2G
Crystal structure of the core catalytic domain of human inositol phosphate multikinase
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 | CCD |
| Collection date | 2016-06-11 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 78.466, 78.466, 85.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.570 - 1.800 |
| R-factor | 0.17287 |
| Rwork | 0.171 |
| R-free | 0.21506 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2if8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.285 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.114 | 0.800 |
| Number of reflections | 25507 | |
| <I/σ(I)> | 15.5 | 3.6 |
| Completeness [%] | 99.4 | 99.9 |
| Redundancy | 8.7 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 35% (w/v) PEG 400, 0.1 M Li2SO4, 100 mM MES Imidanzol buffer , pH 6.0, 50 mM beta-mercaptoethanol |
