4M7Y
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 FR-E |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-03-24 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.960, 56.130, 68.420 |
| Unit cell angles | 90.00, 101.17, 90.00 |
Refinement procedure
| Resolution | 26.532 - 1.800 |
| R-factor | 0.178 |
| Rwork | 0.176 |
| R-free | 0.21980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m7x |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.541 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0027) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.850 | |
| High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
| Rmerge | 0.079 | 0.027 | 0.950 |
| Number of reflections | 48878 | 574 | 3589 |
| <I/σ(I)> | 14.87 | 49.88 | 2 |
| Completeness [%] | 99.4 | 96.8 | 99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 0.01 M inhibitor, 0.01 M magnesium chloride, 0.01 M ATP were added to the protein sample. Crystal condition: 2.5 M ammonium sulfate, 0.1 M BTP, 1.1 % w/v Cyclohexylethanoyl-N-hydroxyethylglucamide., pH 7.0, vapor diffusion |
