4FXJ
Structure of M2 pyruvate kinase in complex with phenylalanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 97.260, 70.600, 167.600 |
| Unit cell angles | 90.00, 105.72, 90.00 |
Refinement procedure
| Resolution | 56.140 - 2.900 |
| R-factor | 0.24823 |
| Rwork | 0.246 |
| R-free | 0.29720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bjt |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.773 |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.700 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.167 | 0.627 |
| Number of reflections | 44252 | |
| <I/σ(I)> | 7.5 | 2.2 |
| Completeness [%] | 90.3 | 90 |
| Redundancy | 4.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 290 | 10-16% PEG 3350, 100 mM sodium Cacodylate, 50 mM MgCl2, 100 mM KCl, VAPOR DIFFUSION, HANGING DROP, temperature 290K, pH 7 |
