8TBT
Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-03-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.354, 174.038, 87.336 |
| Unit cell angles | 90.00, 94.29, 90.00 |
Refinement procedure
| Resolution | 33.770 - 2.340 |
| R-factor | 0.2007 |
| Rwork | 0.198 |
| R-free | 0.25280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.987 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.770 | 2.426 |
| High resolution limit [Å] | 2.340 | 2.342 |
| Rmerge | 0.075 | 0.586 |
| Number of reflections | 92656 | 9114 |
| <I/σ(I)> | 15.6 | 3.6 |
| Completeness [%] | 97.2 | |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 10 mM MnSO4, 50 mM MES/KOH pH 6.0, 11 %(w/v) PEG 8000 |
