1KBL
PYRUVATE PHOSPHATE DIKINASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-06-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.3 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 89.837, 58.838, 102.949 |
| Unit cell angles | 90.00, 94.84, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.940 |
| R-factor | 0.2008 |
| Rwork | 0.195 |
| R-free | 0.25700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | PPDK + phosphonopyruvate (PDB entry 1KC7) |
| RMSD bond length | 0.223 * |
| RMSD bond angle | 2.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.051 | 0.405 |
| Number of reflections | 79262 | 6736 * |
| <I/σ(I)> | 23.7 | 2.9 |
| Completeness [%] | 93.5 | 80.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 30 * | Herzberg, O., (1996) Proc.Natl.Acad.Sci.USA, 93, 2652. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | imidazole | 20 (mM) | |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | drop | EDTA | 0.1 (mM) | |
| 5 | 1 | drop | 2-mercaptoethanol | 1 (mM) | |
| 6 | 1 | reservoir | ammonium sulfate | 50-55 (%sat) |
