1X06
Crystal structure of undecaprenyl pyrophosphate synthase in complex with Mg, IPP and Fspp
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 | 2004-07-12 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 58.122, 58.122, 118.936 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 - 1.900 |
| R-factor | 0.186 |
| Rwork | 0.182 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | chain A of PDB 1V7U |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.800 |
| 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] | 25.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.072 | 0.394 |
| Number of reflections | 19022 | |
| <I/σ(I)> | 19.9 | 2.4 |
| Completeness [%] | 98.9 | 95 |
| Redundancy | 4.12 | 2.69 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | MgCl2, IPP, FsPP, PEG35000, ethylene glycol, Triton X-100, NaCl, Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
