14CL
Structure of liver pyruvate kinase in complex with TEPP-46
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-05-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00002 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 207.271, 112.586, 187.700 |
| Unit cell angles | 90.00, 91.73, 90.00 |
Refinement procedure
| Resolution | 103.590 - 2.129 |
| R-factor | 0.217 |
| Rwork | 0.215 |
| R-free | 0.24820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.910 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 103.588 | 2.320 |
| High resolution limit [Å] | 2.129 | 2.129 |
| Rmerge | 0.222 | 2.039 |
| Rpim | 0.061 | |
| Total number of observations | 2278606 | 103898 |
| Number of reflections | 166357 | 8318 |
| <I/σ(I)> | 9.3 | 1.5 |
| Completeness [%] | 92.3 | |
| Redundancy | 13.7 | 12.5 |
| CC(1/2) | 0.997 | 0.426 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 100 mM HEPES/MOPS, 10% PEG8000, 20% ethylene glycol, 10 mM phenylalanine, 20 mM sodium oxalate |
