3K56
Crystal Structure of Isopentenyl Phosphate Kinase from M. jannaschii in complex with IPP beta-S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 77.680, 100.240, 87.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.110 - 2.340 |
| R-factor | 0.222 |
| Rwork | 0.220 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k4o |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.985 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.070 | 0.583 |
| Number of reflections | 29290 | 3160 |
| <I/σ(I)> | 14.65 | 3 |
| Completeness [%] | 99.0 | 91.7 |
| Redundancy | 7.01 | 6.76 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.6M ammonium sulfate, 5mM ATP gamma-S, 1mM IP, 2mM magnesium chloride., VAPOR DIFFUSION, HANGING DROP, temperature 298K |
