2A86
Crystal structure of A Pantothenate synthetase complexed with AMP and beta-alanine
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 | P 1 21 1 |
| Unit cell lengths | 47.991, 70.640, 81.683 |
| Unit cell angles | 90.00, 99.21, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.850 |
| R-factor | 0.16074 |
| Rwork | 0.158 |
| R-free | 0.19529 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mop |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.670 |
| 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 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.083 | 0.547 |
| Number of reflections | 45909 | |
| <I/σ(I)> | 23.6 | 2.5 |
| Completeness [%] | 98.1 | |
| Redundancy | 2.7 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | PEG 3000, glycerol, ethanol, magnesium chloride, lithium sulfate, imidazole, pH 8.0, vapor diffusion, hanging drop, temperature 293K |
