8G2E
PKM2 bound to compound 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-30 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.12723 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 84.810, 115.965, 131.841 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.660 - 1.838 |
| R-factor | 0.1646 |
| Rwork | 0.163 |
| R-free | 0.19020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.890 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.870 |
| High resolution limit [Å] | 1.838 | 4.990 | 1.840 |
| Rmerge | 0.038 | 0.030 | 0.138 |
| Number of reflections | 53268 | 2657 | 2637 |
| <I/σ(I)> | 29.5 | ||
| Completeness [%] | 94.4 | 88.5 | 95.3 |
| Redundancy | 3.9 | 4.5 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 200 mM ammonium sulfate and 20% polyethylene glycol 3350 |
