5SC9
Structure of liver pyruvate kinase in complex with anthraquinone derivative 29
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 208.273, 112.676, 187.899 |
Unit cell angles | 90.00, 91.34, 90.00 |
Refinement procedure
Resolution | 187.850 - 1.685 |
R-factor | 0.1956 |
Rwork | 0.195 |
R-free | 0.21630 |
Structure solution method | MR |
RMSD bond length | 0.008 |
RMSD bond angle | 0.890 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.4 (16-JUL-2021)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 187.848 | 187.848 | 1.777 |
High resolution limit [Å] | 1.693 | 4.814 | 1.693 |
Rmerge | 0.121 | 0.064 | 1.790 |
Rpim | 0.050 | 0.027 | 0.695 |
Total number of observations | 2937017 | ||
Number of reflections | 426322 | 21316 | 21315 |
<I/σ(I)> | 9.8 | 23.4 | 1.5 |
Completeness [%] | 95.9 | ||
Redundancy | 6.9 | 6.4 | 7.6 |
CC(1/2) | 0.994 | 0.991 | 0.307 |
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 |