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 |
