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 |