1KC7
Pyruvate Phosphate Dikinase with Bound Mg-phosphonopyruvate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-06 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 89.210, 58.420, 102.550 |
| Unit cell angles | 90.00, 94.99, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.200 |
| R-factor | 0.198 * |
| Rwork | 0.198 |
| R-free | 0.26900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1dik |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.900 |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.790 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.114 | 0.523 * |
| Number of reflections | 104444 | 14814 * |
| <I/σ(I)> | 26.6 | 4.1 |
| Completeness [%] | 95.1 | 81.4 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 6.5 * | 30 * | 54% saturated ammonium sulfate, 100mM Hepes buffer (pH 7.0), 9mg/ml protein solution consisting of: 20mM imidazole buffer (pH 6.5), 100mM KCl, 40mM phosphonopyruvate, 5mM MgCl2, 0.1mM EDTA, 1mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 303K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 54 (%sat) | |
| 2 | 1 | reservoir | HEPES | 100 (mM) | pH7.0 |
| 3 | 1 | drop | protein | 9 (mg/ml) | |
| 4 | 1 | drop | imidazole | 20 (mM) | pH6.5 |
| 5 | 1 | drop | 100 (mM) | ||
| 6 | 1 | drop | phosphonopyruvate | 40 (mM) | |
| 7 | 1 | drop | 5 (mM) | ||
| 8 | 1 | drop | EDTA | 0.1 (mM) | |
| 9 | 1 | drop | dithiothreitol | 1 (mM) |
