2A84
Crystal structure of A Pantothenate synthetase complexed with ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.953, 44.877, 82.125 |
| Unit cell angles | 90.00, 125.26, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.550 |
| R-factor | 0.152 |
| Rwork | 0.150 |
| R-free | 0.16900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mop |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.599 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.060 | 0.343 |
| Number of reflections | 45287 | |
| <I/σ(I)> | 30.7 | 3.9 |
| Completeness [%] | 87.6 | 30.8 |
| Redundancy | 6.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | PEG 3000, glycerol, isopropanol, magnesium chloride, lithium sulfate, imidazole, pH 8.0, vapor diffusion, hanging drop, temperature 293K |
