7FS4
Structure of liver pyruvate kinase in complex with allosteric modulator 16
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 | 2021-10-15 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 208.146, 113.021, 188.617 |
Unit cell angles | 90.00, 91.93, 90.00 |
Refinement procedure
Resolution | 188.510 - 2.190 |
R-factor | 0.2087 |
Rwork | 0.207 |
R-free | 0.23560 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.900 |
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] | 188.510 | 188.510 | 2.381 |
High resolution limit [Å] | 2.190 | 6.552 | 2.190 |
Rmerge | 0.143 | 0.038 | 1.744 |
Rpim | 0.044 | 0.012 | 0.538 |
Total number of observations | 1985531 | ||
Number of reflections | 172129 | 8605 | 8606 |
<I/σ(I)> | 12.2 | 37.2 | 1.6 |
Completeness [%] | 94.8 | ||
Redundancy | 11.5 | 11.6 | 11.4 |
CC(1/2) | 0.999 | 1.000 | 0.638 |
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 |