1ESM
STRUCTURAL BASIS FOR THE FEEDBACK REGULATION OF ESCHERICHIA COLI PANTOTHENATE KINASE BY COENZYME A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-11-07 |
| Detector | BRANDEIS - B4 |
| Spacegroup name | P 1 |
| Unit cell lengths | 62.000, 71.240, 87.680 |
| Unit cell angles | 102.44, 89.48, 93.23 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.204 * |
| Rwork | 0.201 |
| R-free | 0.25850 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.594 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.039 | 0.129 |
| Total number of observations | 335425 * | |
| Number of reflections | 46593 | |
| <I/σ(I)> | 15.6 | |
| Completeness [%] | 91.2 | 52.7 |
| Redundancy | 7.2 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 4 * | PEG 4000, isopropanol, ADA, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 20 (mM) | |
| 2 | 1 | drop | dithiothreitol | 1 (mM) | |
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | drop | protein | 20 (mg/ml) | |
| 5 | 1 | drop | AMPPNP | 2 (mM) | |
| 6 | 1 | reservoir | PEG8000 | 11 (%) | |
| 7 | 1 | reservoir | HEPES | 0.1 (M) |
