8X36
Neryl diphosphate synthase from Solanum lycopersicum complexed with DMSAPP, IPP, and magnesium ion (form B)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2021-10-01 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.520, 48.680, 121.130 |
| Unit cell angles | 90.00, 90.69, 90.00 |
Refinement procedure
| Resolution | 48.760 - 2.280 |
| R-factor | 0.1968 |
| Rwork | 0.194 |
| R-free | 0.25210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7vpc |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.023 |
| Data reduction software | DIALS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.420 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmeas | 0.250 | 4.670 |
| Number of reflections | 26172 | 4178 |
| <I/σ(I)> | 8.75 | 1.31 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 6 | 6.2 |
| CC(1/2) | 0.989 | 0.521 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | DL-malic acid, PEG3350 |
