6A2C
Crystal structure of a synthase 2 from santalum album in complex with lig2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-03-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 133.052, 133.052, 142.328 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.940 - 1.940 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.23760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ong |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.463 |
| 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 | 2.010 |
| High resolution limit [Å] | 1.940 | 4.170 | 1.940 |
| Rmerge | 0.061 | 0.026 | 0.690 |
| Rmeas | 0.065 | 0.028 | 0.737 |
| Rpim | 0.023 | 0.010 | 0.257 |
| Total number of observations | 757948 | ||
| Number of reflections | 94740 | 9968 | 9346 |
| <I/σ(I)> | 8.2 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 8 | 7.6 | 8.1 |
| CC(1/2) | 1.000 | 0.854 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | Ammonium tartrate, PEG 3350, MgCl2 |
