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 |