6ISL
SnoaL-like cyclase XimE with its product xiamenmycin B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9778 |
| Spacegroup name | H 3 |
| Unit cell lengths | 80.220, 80.220, 112.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 59.070 - 1.770 |
| R-factor | 0.1966 |
| Rwork | 0.195 |
| R-free | 0.22050 |
| Structure solution method | SAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.987 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.100 | 1.800 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.115 | 0.515 |
| Number of reflections | 24399 | |
| <I/σ(I)> | 12.7 | 3.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 2M xiamenmycin B, 0.2M malonic acid, 20% PEG 3350, pH 4.5 |
