1GN8
PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE IN COMPLEX WITH Mn2+ATP FROM ESCHERICHIA COLI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-07-21 |
| Detector | MAC Science DIP |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 135.060, 135.060, 135.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.910 - 1.830 |
| R-factor | 0.229 |
| Rwork | 0.229 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PBD ENTRY 1B6T |
| RMSD bond length | 0.005 |
| RMSD bond angle | 22.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.820 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.107 * | 0.495 |
| Total number of observations | 444009 * | |
| Number of reflections | 35949 | |
| <I/σ(I)> | 17.8 | |
| Completeness [%] | 96.9 * | 77.7 * |
| Redundancy | 12.351 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 * | Izard, T., (1999) Acta Crystallog., D55, 1226. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HEPES | 10 (mM) | pH8. |
| 2 | 1 | drop | dithiothreitol | 0.5 (mM) | |
| 3 | 1 | drop | protein | 18 (mg/ml) | |
| 4 | 1 | reservoir | ammonium sulfate | 1.1 (M) | |
| 5 | 1 | reservoir | 0.2 (M) | ||
| 6 | 1 | reservoir | sodium acetate | 100 (mM) | pH5. |
