7FSC
Structure of liver pyruvate kinase in complex with allosteric modulator 42
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 | 209.159, 113.004, 189.435 |
Unit cell angles | 90.00, 91.14, 90.00 |
Refinement procedure
Resolution | 104.560 - 1.855 |
R-factor | 0.1996 |
Rwork | 0.198 |
R-free | 0.22210 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.870 |
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] | 104.559 | 104.559 | 2.031 |
High resolution limit [Å] | 1.855 | 5.558 | 1.855 |
Rmerge | 0.081 | 0.027 | 0.827 |
Rpim | 0.049 | 0.016 | 0.498 |
Total number of observations | 1039863 | ||
Number of reflections | 282026 | 14100 | 14102 |
<I/σ(I)> | 9.8 | 28.3 | 1.6 |
Completeness [%] | 94.8 | ||
Redundancy | 3.7 | 3.6 | 3.7 |
CC(1/2) | 0.999 | 0.999 | 0.624 |
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 |