1OD6
The Crystal Structure of Phosphopantetheine adenylyltransferase from Thermus Thermophilus in complex with 4'-phosphopantetheine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-12-15 |
| Detector | RIGAKU IMAGE PLATE |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 115.715, 115.715, 115.661 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.800 - 1.500 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.20050 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qjc |
| RMSD bond length | 0.005 |
| RMSD bond angle | 21.700 * |
| 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] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.040 | 0.359 |
| Total number of observations | 334505 * | |
| Number of reflections | 47654 | |
| <I/σ(I)> | 23.6 | 8 |
| Completeness [%] | 99.3 | 98.3 |
| Redundancy | 10.3 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 8 * | 291 * | PROTEIN WAS CRYSTALLIZED FROM 1.1M LISULF, 100 MM MES, PH 6.25. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4.13 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH8.0 |
| 3 | 1 | drop | 0.2 (M) | ||
| 4 | 1 | reservoir | 1.1 (M) | ||
| 5 | 1 | reservoir | sodium MES | 0.1 (M) | pH6.25 |
