6LE0
A nonspecific heme-binding cyclase catalyzes [4 + 2] cycloaddition during neoabyssomicin biosynthesis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97893 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.613, 65.349, 101.397 |
| Unit cell angles | 90.00, 90.19, 90.00 |
Refinement procedure
| Resolution | 27.880 - 2.510 |
| R-factor | 0.2019 |
| Rwork | 0.200 |
| R-free | 0.24510 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.257 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.580 |
| High resolution limit [Å] | 2.510 | 2.510 |
| Rmerge | 0.081 | 0.498 |
| Rpim | 0.040 | 0.219 |
| Number of reflections | 29528 | 1020 |
| <I/σ(I)> | 13.9 | |
| Completeness [%] | 98.2 | |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 20% PEG 3350, 0.1 M MES pH 6.5 |
