3K4Y
Crystal Structure of Isopentenyl Phosphate Kinase from M. jannaschii in complex with IPP
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 | 78.090, 99.230, 87.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.710 - 2.540 |
| R-factor | 0.227 |
| Rwork | 0.224 |
| R-free | 0.28700 |
| Structure solution method | CNS rigid body |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.784 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Rmerge | 0.077 | 0.489 |
| Number of reflections | 22723 | 2215 |
| <I/σ(I)> | 16.32 | 3.5 |
| Completeness [%] | 98.6 | 89.8 |
| Redundancy | 5.87 | 5.66 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | crystals were grown in 1.6M ammonium sulfate and then transferred to a solution containing 1.6M ammonium sulfate, 10mM IPP, vapor diffusion, hanging drop, temperature 298K, VAPOR DIFFUSION, HANGING DROP |
