1XPK
CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS HMG-COA SYNTHASE WITH HMG-CoA AND WITH ACETOACETYL-COA AND ACETYLATED CYSTEINE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2002-11-03 |
Detector | RIGAKU RAXIS II |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 64.271, 84.612, 94.633 |
Unit cell angles | 84.25, 72.52, 70.44 |
Refinement procedure
Resolution | 35.000 - 2.000 |
Rwork | 0.198 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1txt |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | BEAST |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.000 | 35.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.028 | 0.016 | 0.132 |
Number of reflections | 94526 | ||
<I/σ(I)> | 27 | ||
Completeness [%] | 78.8 | 94 | 32.2 |
Redundancy | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 292 | ammonium sulfate, Tris, DTT, pH 7.5, VAPOR DIFFUSION, temperature 292K |