6SBD
Structure of type II terpene cyclase MstE_D109A from Scytonema in complex with merosterolic acid A (product)
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 | 47.990, 76.770, 91.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.400 |
| R-factor | 0.1108 |
| Rwork | 0.109 |
| R-free | 0.14850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6sbb |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.872 |
| 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 | 0.053 | 0.501 |
| Number of reflections | 66812 | 12352 |
| <I/σ(I)> | 16 | 3.5 |
| Completeness [%] | 99.4 | 99.3 |
| Redundancy | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 100 mM HEPES, 1 M LiCl, 30% PEG 6000 |
