4OKZ
Selinadiene Synthase in complex with dihydrofarnesyl pyrophosphate
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 | 2013-09-07 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.090, 117.780, 185.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.900 |
| R-factor | 0.14446 |
| Rwork | 0.143 |
| R-free | 0.17711 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4okm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.125 |
| 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 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.047 | 0.418 |
| Number of reflections | 129570 | |
| <I/σ(I)> | 23.8 | 4.3 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 4.5 |
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 dihydrofarnesyl pyrophosphate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
