3LL9
X-ray structures of isopentenyl phosphate kinase
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 | 2009-02-26 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.672, 96.360, 72.430 |
| Unit cell angles | 90.00, 120.59, 90.00 |
Refinement procedure
| Resolution | 29.332 - 2.148 |
| R-factor | 0.208 |
| Rwork | 0.205 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lkk |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.005 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (1.3.3) |
| Refinement software | PHENIX (1.5_2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.082 | 0.064 | 0.459 |
| Number of reflections | 38177 | ||
| <I/σ(I)> | 19.7 | ||
| Completeness [%] | 92.3 | 97.4 | 66.2 |
| Redundancy | 3.5 | 3.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 12% PEG 6000, 2 M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
