3LKK
Crystal structure of the isopentenyl phosphate kinase substrate complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-09-15 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 124.307, 44.279, 91.764 |
| Unit cell angles | 90.00, 109.45, 90.00 |
Refinement procedure
| Resolution | 29.303 - 2.001 |
| R-factor | 0.1786 |
| Rwork | 0.176 |
| R-free | 0.23130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | T.acidophilum isopentenyl phosphate kinase solved by single-wavelength anomalous diffraction (SAD) |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.783 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (1.3.3) |
| Refinement software | PHENIX (1.6.1_357) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.075 | 0.475 |
| Number of reflections | 31502 | |
| <I/σ(I)> | 11.2 | |
| Completeness [%] | 98.0 | 95.2 |
| Redundancy | 3.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 274 | 0.1 M MIB buffer (2:3:3 molar ratio of sodium malonate, imidazole, boric acid), pH 7.0, 25% PEG1500, VAPOR DIFFUSION, SITTING DROP, temperature 274K |
