7FSD
Structure of liver pyruvate kinase in complex with allosteric modulator 44
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-17 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.91788 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 208.219, 112.810, 188.749 |
Unit cell angles | 90.00, 91.85, 90.00 |
Refinement procedure
Resolution | 104.060 - 1.769 |
R-factor | 0.201 |
Rwork | 0.200 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.850 |
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] | 104.055 | 104.055 | 1.890 |
High resolution limit [Å] | 1.769 | 5.213 | 1.769 |
Rmerge | 0.060 | 0.031 | 0.796 |
Rpim | 0.036 | 0.019 | 0.467 |
Total number of observations | 1270263 | ||
Number of reflections | 337751 | 16887 | 16889 |
<I/σ(I)> | 10.6 | 28.2 | 1.5 |
Completeness [%] | 95.4 | ||
Redundancy | 3.8 | 3.6 | 3.9 |
CC(1/2) | 0.999 | 0.999 | 0.658 |
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 |