7FRZ
Structure of liver pyruvate kinase in complex with allosteric modulator 7
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 | 207.176, 112.984, 187.820 |
Unit cell angles | 90.00, 92.26, 90.00 |
Refinement procedure
Resolution | 187.670 - 2.085 |
R-factor | 0.2137 |
Rwork | 0.212 |
R-free | 0.24060 |
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] | 187.674 | 187.674 | 2.314 |
High resolution limit [Å] | 2.085 | 6.525 | 2.085 |
Rmerge | 0.143 | 0.052 | 1.776 |
Rpim | 0.043 | 0.016 | 0.509 |
Total number of observations | 2007970 | ||
Number of reflections | 169651 | 8482 | 8484 |
<I/σ(I)> | 11 | 30.9 | 1.6 |
Completeness [%] | 93.4 | ||
Redundancy | 11.8 | 12 | 13.1 |
CC(1/2) | 0.999 | 0.999 | 0.699 |
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 |