1KKF
Complex of E. coli Adenylosuccinate Synthetase with IMP, Hadacidin, Pyrophosphate, and Mg
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 120 |
| Detector technology | AREA DETECTOR |
| Collection date | 1998-01-01 |
| Detector | SIEMENS |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 80.120, 80.120, 158.670 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 5.000 - 2.600 |
| R-factor | 0.19 * |
| Rwork | 0.190 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 24.300 * |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.750 |
| High resolution limit [Å] | 2.600 | 2.550 |
| Rmerge | 0.083 * | |
| Total number of observations | 85975 * | |
| Number of reflections | 22089 | |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 * | 293 | PEG 8000, HEPES, IMP, Hadacidin, Pyrophosphate, Magnesium Acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HEPES | 30 (mM) | |
| 2 | 1 | drop | pyrophosphate | 2 (mM) | |
| 3 | 1 | drop | IMP | 4 (mM) | |
| 4 | 1 | drop | hadacidin | 4 (mM) | |
| 5 | 1 | drop | protein | 18 (mg/ml) | pH6.8 |
| 6 | 1 | reservoir | PEG8000 | 16 (%(w/v)) | |
| 7 | 1 | reservoir | cacodylic acid | 100 (mM) | or sodium cacodylate |
| 8 | 1 | reservoir | magnesium acetate | 100 (mM) |
