6SBE
Structure of type II terpene cyclase MstE_D109N from Scytonema in complex with geranylgeranyl dihydroxybenzoate (substrate)
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 | 2018-12-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.770, 77.320, 91.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.400 |
| R-factor | 0.1026 |
| Rwork | 0.101 |
| R-free | 0.13790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6sbb |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.867 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.500 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.056 | |
| Number of reflections | 66882 | 12366 |
| <I/σ(I)> | 15.4 | 3.1 |
| Completeness [%] | 99.5 | |
| Redundancy | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M NaOAc, 1 M LiCl, 30% PEG 6000 |
