8X4R
Pyruvate kinase M2 (PKM2) mutant in complex with phenylalanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2018-06-11 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.142, 69.399, 168.818 |
| Unit cell angles | 90.00, 106.54, 90.00 |
Refinement procedure
| Resolution | 27.112 - 2.180 |
| Rwork | 0.198 |
| R-free | 0.24050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.384 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.112 | 2.236 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.052 | 0.456 |
| Number of reflections | 113714 | 6880 |
| <I/σ(I)> | 35.6 | |
| Completeness [%] | 96.0 | |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | NaCl, Tris, PEG 3350 |
