6ECH
Pyruvate Kinase Isoform L-type with phosphorylated Ser12 (pS12) in complex with FBP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-14 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.550, 108.900, 296.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.520 - 2.190 |
R-factor | 0.1837 |
Rwork | 0.181 |
R-free | 0.23790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ip7 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.464 |
Data reduction software | HKL-2000 (2000) |
Data scaling software | Aimless (0.7.1) |
Phasing software | PHASER (2.7.0) |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.520 | 49.470 | 2.230 |
High resolution limit [Å] | 2.190 | 12.000 | 2.190 |
Rmerge | 0.085 | 0.039 | 0.889 |
Rmeas | 0.092 | 0.043 | 0.964 |
Rpim | 0.035 | 0.018 | 0.372 |
Total number of observations | 5796 | 46984 | |
Number of reflections | 144911 | 998 | 7136 |
<I/σ(I)> | 14.5 | 44.6 | 1.8 |
Completeness [%] | 100.0 | 98.5 | 99.8 |
Redundancy | 6.7 | 5.8 | 6.6 |
CC(1/2) | 0.998 | 0.997 | 0.814 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.1 M HEPES, pH 7.5, 10% ethylene glycol, 8-12% PEG8000 |