1N3B
Crystal Structure of Dephosphocoenzyme A kinase from Escherichia coli
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-07-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97957, 0.97941 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.500, 82.410, 76.000 |
| Unit cell angles | 90.00, 94.77, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.800 |
| Rwork | 0.217 |
| R-free | 0.24600 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.260 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.880 |
| High resolution limit [Å] | 1.800 | 1.800 * |
| Rmerge | 0.063 * | 0.546 * |
| Total number of observations | 380533 * | |
| Number of reflections | 56459 * | |
| <I/σ(I)> | 26.1 | |
| Completeness [%] | 88.7 * | 71.1 * |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 21 * | PEG 8000, cacodylate buffer, ammonium sulfate, glycerol, 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 | Tris-Cl | 20 (mM) | pH7.5 |
| 2 | 1 | drop | 0.2 (M) | ||
| 3 | 1 | drop | glycerol | 5 (%(v/v)) | |
| 4 | 1 | drop | dithiothreitol | 10 (mM) | |
| 5 | 1 | drop | protein | 9.3 (mg/ml) | |
| 6 | 1 | reservoir | PEG8000 | 20 (%(w/v)) | |
| 7 | 1 | reservoir | cacodylate | 50 (mM) | pH6.5 |
| 8 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 9 | 1 | reservoir | glycerol | 5 (%(v/v)) |
