5X0I
Crystal structure of PKM2 R399E mutant complexed with FBP and serine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.975 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 116.601, 137.875, 149.709 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.640 |
| R-factor | 0.18194 |
| Rwork | 0.180 |
| R-free | 0.21844 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b2d |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.477 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.730 |
| High resolution limit [Å] | 2.640 | 2.640 |
| Rmerge | 0.491 | |
| Number of reflections | 72242 | |
| <I/σ(I)> | 16.59 | 4 |
| Completeness [%] | 99.9 | |
| Redundancy | 4.8 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | KCl, Tris, PEG3350 |
