3KEM
Crystal structure of IspH:IPP complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-05 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 112.475, 80.645, 70.157 |
| Unit cell angles | 90.00, 94.68, 90.00 |
Refinement procedure
| Resolution | 9.990 - 2.000 |
| R-factor | 0.226 |
| Rwork | 0.226 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dnf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | PROTEUM2 (Suite) |
| Data scaling software | PROTEUM2 (Suite) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.048 | 0.243 |
| Number of reflections | 39891 | |
| <I/σ(I)> | 17.6 | 4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 0.1M Bis-Tris, 0.2M Li2SO4, 25% PEG 3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP |
