3ME3
Activator-Bound Structure of Human Pyruvate Kinase M2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-18 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.882, 152.564, 93.036 |
| Unit cell angles | 90.00, 103.17, 90.00 |
Refinement procedure
| Resolution | 26.714 - 1.950 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.26200 |
| Starting model (for MR) | isomorphous pdb entry 3GQY |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.425 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 5.290 | 1.950 |
| Rmerge | 0.080 | 0.031 | 0.857 |
| Number of reflections | 158866 | ||
| <I/σ(I)> | 10.7 | ||
| Completeness [%] | 99.8 | 99.3 | 97.4 |
| Redundancy | 3.6 | 3.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 291 | 25% w/v PEG-3350, 0.1M ammonium sulfate, 0.1M Bis-Tris, 0.005M activator (from 0.1M stock solution in DMSO)., pH 6.5, vapor diffusion, temperature 291K |
