1PPV
ISOPENTENYLPYROPHOSPHATE-DIMETHYLALLYLPYROPHOSPHATE ISOMERASE IN COMPLEX WITH THE BROMOHYDRINE OF IPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-04-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9797 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.147, 71.821, 92.019 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 1.700 |
| R-factor | 0.1921 |
| Rwork | 0.188 |
| R-free | 0.24330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1N2U |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.024 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 1.660 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.041 | 0.085 |
| Number of reflections | 55235 | |
| Completeness [%] | 97.4 | 88.3 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 297 | PEG 2000, MANGANESE CHLORIDE, AMMONIUM SULFATE, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
