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 |