6EBV
Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-N7-Pan
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.62 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.800, 56.720, 133.620 |
| Unit cell angles | 90.00, 99.81, 90.00 |
Refinement procedure
| Resolution | 44.490 - 3.000 |
| R-factor | 0.231 |
| Rwork | 0.228 |
| R-free | 0.28000 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | BUSTER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.180 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 21357 | 3421 |
| <I/σ(I)> | 5.82 | 2.14 |
| Completeness [%] | 97.5 | 97.7 |
| Redundancy | 2.81 | 2.79 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M lithium sulfate, 0.1 M Tris, pH 8.5, 33% PEG4000, 5% glycerol |
