4OKM
Selinadiene Synthase apo and in complex with diphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-18 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.6 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.780, 119.090, 186.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.100 |
| R-factor | 0.15924 |
| Rwork | 0.157 |
| R-free | 0.20265 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SeMet model of Selinadiene Synthase (experimental phasing) |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.014 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.153 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.070 | 0.487 |
| Number of reflections | 94771 | |
| <I/σ(I)> | 13.9 | 2.5 |
| Completeness [%] | 97.0 | 95.7 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 0.1 M TRIS, 200 mM MgCl2, 24% PEG 3350, 1 mM farnesyl pyrophosphate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
