1B6T
PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE IN COMPLEX WITH 3'-DEPHOSPHO-COA FROM ESCHERICHIA COLI
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-07-15 |
| Detector | BRANDEIS |
| Wavelength(s) | 0.978418,0.978668 ,0.95 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 135.500, 135.500, 135.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.960 - 1.800 |
| R-factor | 0.222 |
| Rwork | 0.205 |
| R-free | 0.23500 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 * | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.094 | 0.239 |
| Total number of observations | 547185 * | |
| Number of reflections | 36339 * | |
| <I/σ(I)> | 21.7 | |
| Completeness [%] | 94.7 * | 95.8 * |
| Redundancy | 15.1 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 * | pH 5. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 18 (mg/ml) | |
| 2 | 1 | drop | HEPES | 10 (mM) | |
| 3 | 1 | drop | dithiothreitol | 0.5 (mM) | |
| 4 | 1 | reservoir | ammonium sulfate | 1.1 (M) | |
| 5 | 1 | reservoir | 0.2 (M) | ||
| 6 | 1 | reservoir | sodium acetate | 100 (mM) |
