5SCL
Structure of liver pyruvate kinase in complex with anthraquinone derivative 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9705 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 206.875, 112.269, 187.907 |
Unit cell angles | 90.00, 92.32, 90.00 |
Refinement procedure
Resolution | 187.750 - 2.134 |
R-factor | 0.1996 |
Rwork | 0.198 |
R-free | 0.22210 |
Structure solution method | MR |
RMSD bond length | 0.008 |
RMSD bond angle | 0.930 |
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] | 187.753 | 187.753 | 2.281 |
High resolution limit [Å] | 2.135 | 6.409 | 2.135 |
Rmerge | 0.154 | 0.061 | 1.381 |
Rpim | 0.063 | 0.025 | 0.567 |
Total number of observations | 1262082 | ||
Number of reflections | 180691 | 9035 | 9036 |
<I/σ(I)> | 8.4 | 20.4 | 1.6 |
Completeness [%] | 93.8 | ||
Redundancy | 7 | 6.9 | 6.9 |
CC(1/2) | 0.995 | 0.996 | 0.541 |
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 |