9HQB
1-Epi-Cubenol Synthase from Nonomuraea coxensis (NcECS) in complex with 2,3-DHFPP
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 | 2022-12-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.780, 87.590, 102.010 |
| Unit cell angles | 90.00, 106.76, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.850 |
| R-factor | 0.15687 |
| Rwork | 0.155 |
| R-free | 0.19226 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.203 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.060 | 0.574 |
| Number of reflections | 99381 | 14639 |
| <I/σ(I)> | 11.7 | 2.2 |
| Completeness [%] | 97.6 | |
| Redundancy | 3.1 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.1 M MES; 0.05 M MgCl2; 12% PEG 20000 |
