8TBS
Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator AG-946
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 | 2017-11-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 110.320, 122.596, 378.458 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.440 - 2.350 |
| R-factor | 0.1948 |
| Rwork | 0.193 |
| R-free | 0.23390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.648 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.440 | 2.434 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.128 | 0.697 |
| Number of reflections | 212510 | 20970 |
| <I/σ(I)> | 12.7 | 4.3 |
| Completeness [%] | 99.4 | 99.45 |
| Redundancy | 10.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 293 | 10 mM MnSO4, 50 mM MES/KOH, pH 6.4 and 13 % (w/v) PEG 8000 |
