4FXF
Structure of M2 pyruvate kinase in complex with phenylalanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.600, 139.350, 111.280 |
| Unit cell angles | 90.00, 90.52, 90.00 |
Refinement procedure
| Resolution | 51.670 - 2.550 |
| R-factor | 0.21453 |
| Rwork | 0.212 |
| R-free | 0.25376 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bjt |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.878 |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.090 | 2.620 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.085 | 0.633 |
| Number of reflections | 79477 | |
| <I/σ(I)> | 15.6 | 2.6 |
| Completeness [%] | 98.2 | 93.6 |
| Redundancy | 6.9 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 290 | 10-16% PEG 8000, 100 mM sodium Cacodylate, 50 mM MgCl2, 100 mM KCl, VAPOR DIFFUSION, HANGING DROP, temperature 290K, pH 7 |
