5HC7
Crystal structure of lavandulyl diphosphate synthase from Lavandula x intermedia in complex with S-thiolo-isopentenyldiphosphate
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 | 54.392, 141.606, 78.918 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.050 |
| R-factor | 0.1707 |
| Rwork | 0.169 |
| R-free | 0.21440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1v7u |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.077 |
| 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] | 25.000 | 25.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 4.410 | 2.050 |
| Rmerge | 0.056 | 0.025 | 0.420 |
| Rmeas | 0.066 | 0.030 | 0.498 |
| Rpim | 0.035 | 0.016 | 0.265 |
| Total number of observations | 66902 | ||
| Number of reflections | 19241 | ||
| <I/σ(I)> | 9.8 | ||
| Completeness [%] | 98.9 | 99.2 | 93.4 |
| Redundancy | 3.5 | 3.4 | 3.3 |
| CC(1/2) | 0.999 | 0.853 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Ammonium Sulfate, Glycerol, PEG400 |
