4MC0
Hedycaryol apo
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 | 2013-05-05 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.380, 80.600, 97.550 |
| Unit cell angles | 90.00, 94.69, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.700 |
| R-factor | 0.20865 |
| Rwork | 0.207 |
| R-free | 0.24736 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HcS Nerolidol complex |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.972 |
| 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] | 30.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.075 | 0.549 |
| Number of reflections | 24119 | |
| <I/σ(I)> | 9.2 | 2.5 |
| Completeness [%] | 95.3 | 97.3 |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1 M TRIS, 1.6 M (NH4)2SO4, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
