8TBT
Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-03-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 76.354, 174.038, 87.336 |
Unit cell angles | 90.00, 94.29, 90.00 |
Refinement procedure
Resolution | 33.770 - 2.340 |
R-factor | 0.2007 |
Rwork | 0.198 |
R-free | 0.25280 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.987 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.770 | 2.426 |
High resolution limit [Å] | 2.340 | 2.342 |
Rmerge | 0.075 | 0.586 |
Number of reflections | 92656 | 9114 |
<I/σ(I)> | 15.6 | 3.6 |
Completeness [%] | 97.2 | |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 10 mM MnSO4, 50 mM MES/KOH pH 6.0, 11 %(w/v) PEG 8000 |