7FRW
Structure of liver pyruvate kinase in complex with allosteric modulator 4
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 | 2019-05-18 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 208.144, 112.752, 188.438 |
Unit cell angles | 90.00, 91.41, 90.00 |
Refinement procedure
Resolution | 104.040 - 1.737 |
R-factor | 0.2031 |
Rwork | 0.202 |
R-free | 0.22030 |
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] | 99.134 | 99.134 | 1.890 |
High resolution limit [Å] | 1.748 | 5.292 | 1.748 |
Rmerge | 0.060 | 0.033 | 1.074 |
Rpim | 0.025 | 0.014 | 0.432 |
Total number of observations | 2259735 | ||
Number of reflections | 322292 | 16114 | 16116 |
<I/σ(I)> | 14.2 | 37.5 | 1.7 |
Completeness [%] | 94.5 | ||
Redundancy | 7 | 6.5 | 6.9 |
CC(1/2) | 0.999 | 0.998 | 0.621 |
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 |