6A1E
Crystal structure of a synthase 1 from Santalum album in complex with ligand fps
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-01-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 85.611, 139.498, 110.962 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.320 - 1.890 |
| R-factor | 0.156 |
| Rwork | 0.154 |
| R-free | 0.19880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ong |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.425 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.960 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.047 | 0.491 |
| Rmeas | 0.040 | 0.017 |
| Rpim | 0.017 | 0.007 |
| Total number of observations | 503665 | |
| Number of reflections | 53005 | 8989 |
| <I/σ(I)> | 13.2 | |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 4.1 | 4.1 |
| CC(1/2) | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Ammonium Sulfate, HEPES, MgCl2 |
