7FS5
Structure of liver pyruvate kinase in complex with allosteric modulator 17
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-17 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97624 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 209.747, 113.236, 189.399 |
Unit cell angles | 90.00, 90.62, 90.00 |
Refinement procedure
Resolution | 189.390 - 2.182 |
R-factor | 0.21 |
Rwork | 0.209 |
R-free | 0.23430 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.920 |
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] | 104.867 | 104.867 | 2.303 |
High resolution limit [Å] | 2.182 | 6.206 | 2.182 |
Rmerge | 0.095 | 0.030 | 1.451 |
Rpim | 0.038 | 0.012 | 0.569 |
Total number of observations | 1463474 | ||
Number of reflections | 205160 | 10256 | 10260 |
<I/σ(I)> | 12.1 | 38.8 | 1.4 |
Completeness [%] | 95.2 | ||
Redundancy | 7.1 | 7.1 | 7.4 |
CC(1/2) | 0.999 | 0.999 | 0.562 |
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 |