5ELZ
Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-19 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 56.967, 136.771, 73.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.000 - 1.800 |
| R-factor | 0.1708 |
| Rwork | 0.169 |
| R-free | 0.20740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m7x |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.255 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.480 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.058 | 0.498 |
| Number of reflections | 27062 | |
| <I/σ(I)> | 23.1 | 4 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 7 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 291 | 0.5 ul protein + 0.5 uL buffer that contains 25% PEG3350, 0.2 M MgCl2, 0.1 M Tris HCl, pH 8.5 |
