8TBS
Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator AG-946
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 | 2017-11-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 110.320, 122.596, 378.458 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.440 - 2.350 |
R-factor | 0.1948 |
Rwork | 0.193 |
R-free | 0.23390 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.648 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.440 | 2.434 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.128 | 0.697 |
Number of reflections | 212510 | 20970 |
<I/σ(I)> | 12.7 | 4.3 |
Completeness [%] | 99.4 | 99.45 |
Redundancy | 10.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 293 | 10 mM MnSO4, 50 mM MES/KOH, pH 6.4 and 13 % (w/v) PEG 8000 |