3KEL
Crystal Structure of IspH:PP complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-01 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.207, 80.740, 111.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.800 |
| R-factor | 0.241 |
| Rwork | 0.241 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dnf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| 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] | 71.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.053 | 0.282 |
| Number of reflections | 60002 | |
| <I/σ(I)> | 15.6 | 3.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 18.8 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M Bis-Tris, 0.2M Li2SO4, 25% PEG 3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
