1UEH
E. coli undecaprenyl pyrophosphate synthase in complex with Triton X-100, magnesium and sulfate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL17B2 |
| Synchrotron site | NSRRC |
| Beamline | BL17B2 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-11-18 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.962, 67.422, 111.756 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.750 - 1.730 |
| R-factor | 0.1776 |
| Rwork | 0.176 |
| R-free | 0.20800 * |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1jp3 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 22.200 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.790 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.084 | 0.496 |
| Total number of observations | 197849 * | |
| Number of reflections | 51195 * | 5009 * |
| <I/σ(I)> | 21.3 | 3 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 3.86 | 2.89 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 25 * | Triton X-100, magnesium chloride, ammonium sulfate, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | cobalt chloride | 0.01 (M) | |
| 2 | 1 | reservoir | MES | 0.1 (M) | |
| 3 | 1 | reservoir | ammonium sulfate | 1.8 (M) | pH6.5 |
| 4 | 1 | drop | protein | 10 (mg/ml) | |
| 5 | 1 | drop | TritonX-100 | 2 (%) | |
| 6 | 1 | drop | 5 (mM) | ||
| 7 | 1 | drop | FPP | 660000 (nM) |
