8TBU
Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 110.323, 122.845, 378.582 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.880 - 2.350 |
R-factor | 0.2038 |
Rwork | 0.202 |
R-free | 0.24570 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.675 |
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] | 49.880 | 2.434 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.080 | 0.535 |
Number of reflections | 213360 | 20443 |
<I/σ(I)> | 23.8 | 3.9 |
Completeness [%] | 99.6 | |
Redundancy | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 10 mM MnSO4, 50 mM MES/KOH pH 6.5, 10 %(w/v) PEG 8000 |