6A3X
Crystal structure of a synthase 1 from Santalum album in complex with ligand s
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 | 2016-05-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 85.760, 139.484, 111.178 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.750 |
| R-factor | 0.1613 |
| Rwork | 0.160 |
| R-free | 0.18540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ong |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.455 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
| Rmerge | 0.052 | 0.026 | 0.606 |
| Rmeas | 0.055 | 0.028 | 0.646 |
| Rpim | 0.019 | 0.010 | 0.222 |
| Total number of observations | 552998 | ||
| Number of reflections | 66681 | 6943 | 6525 |
| <I/σ(I)> | 16 | ||
| Completeness [%] | 99.4 | 99.3 | 98.8 |
| Redundancy | 8.3 | 8 | 8.3 |
| CC(1/2) | 0.999 | 0.871 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Ammonium Sulfate, HEPES, MgCl2 |
