1JP3
Structure of E.coli undecaprenyl pyrophosphate synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-10-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.180, 67.334, 110.145 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.770 - 1.800 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.22800 |
| Structure solution method | single-wavelength anomalous diffraction (SAD) |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.062 | 0.356 |
| Number of reflections | 44820 | 4420 * |
| <I/σ(I)> | 25.8 | 6.5 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 10.1 | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 * | 298 | Triton X-100, PEG8000, ethylele glycol, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | Triton X-100 | 0.1 (%) | |
| 3 | 1 | reservoir | PEG400 | 25 (%) | |
| 4 | 1 | reservoir | sodium cacodylate | 100 (mM) | pH5.5 |
