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 |