5HC8
Crystal structure of lavandulyl diphosphate synthase from Lavandula x intermedia in complex with dimethylallyl diphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-11 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 54.211, 140.235, 78.702 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.870 |
| R-factor | 0.1729 |
| Rwork | 0.171 |
| R-free | 0.21390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1v7u |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.068 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.940 |
| High resolution limit [Å] | 1.870 | 4.030 | 1.870 |
| Rmerge | 0.039 | 0.019 | 0.349 |
| Rmeas | 0.045 | 0.021 | 0.400 |
| Rpim | 0.021 | 0.010 | 0.190 |
| Total number of observations | 111471 | ||
| Number of reflections | 25038 | ||
| <I/σ(I)> | 18.8 | ||
| Completeness [%] | 99.0 | 96.1 | 96.9 |
| Redundancy | 4.5 | 4.3 | 4.2 |
| CC(1/2) | 0.999 | 0.937 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Ammonium Sulfate, Glycerol, PEG400 |
