4RKS
Crystal Structure of Mevalonate-3-Kinase from Thermoplasma acidophilum (Mevalonate Bound)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-12-06 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 147.990, 61.190, 103.950 |
| Unit cell angles | 90.00, 123.22, 90.00 |
Refinement procedure
| Resolution | 54.855 - 2.000 |
| R-factor | 0.197 |
| Rwork | 0.195 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rkp |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 54.870 | 54.870 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.069 | 0.019 | 0.540 |
| Number of reflections | 51669 | 625 | 3760 |
| <I/σ(I)> | 20.04 | 61.93 | 3.57 |
| Completeness [%] | 97.7 | 97.2 | 97.7 |
| Redundancy | 7.37 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | ProComplex condition 68, (Quiagen Cat No. 135468A) 0.1 M Sodium Acetate, pH 5.0, 1.0 M Ammonium Sulfate (2:1 Protein:Reservoir ratio), soaked in 65 mM (R)-mevalonate (no mother liquor), vapor diffusion, hanging drop, temperature 298K |
