1QR0
CRYSTAL STRUCTURE OF THE 4'-PHOSPHOPANTETHEINYL TRANSFERASE SFP-COENZYME A COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-09-27 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 65.300, 65.300, 150.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.216 |
| Rwork | 0.216 |
| R-free | 0.27800 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.530 |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.067 | 0.234 |
| Total number of observations | 96195 * | |
| Number of reflections | 28951 | |
| <I/σ(I)> | 16.8 | |
| Completeness [%] | 93.2 | 90.6 |
| Redundancy | 3.3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 294 | SODIUM FORMATE, SODIUM ACETATE, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Hepes-NaOH | 10 (mM) | |
| 3 | 1 | drop | dithiothreitol | 5 (mM) | |
| 4 | 1 | drop | 120 (mM) | ||
| 5 | 1 | drop | coenzyme A | 1 (mM) | |
| 6 | 1 | reservoir | dithiothreitol | 5 (mM) | |
| 7 | 1 | reservoir | sodium azide | 0.02 (%(w/v)) | |
| 8 | 1 | reservoir | sodium formate | 1.0 (M) | |
| 9 | 1 | reservoir | sodium acetate | 100 (mM) |
