7SFP
Crystal structure of OssO, a spirocyclase involved in the biosynthesis of ossamycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-25 |
| Detector | DECTRIS PILATUS3 R 100K-A |
| Wavelength(s) | 0.979500 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 53.953, 53.953, 245.110 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.725 - 2.200 |
| R-factor | 0.2217 |
| Rwork | 0.219 |
| R-free | 0.27280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7sfn |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER |
| Refinement software | PHENIX (18.1.3875) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.020 | 49.020 | 2.270 |
| High resolution limit [Å] | 2.200 | 9.070 | 2.200 |
| Rmerge | 0.123 | 0.035 | 3.211 |
| Rmeas | 0.124 | 0.035 | 3.242 |
| Rpim | 0.018 | 0.006 | 0.441 |
| Total number of observations | 586280 | 7900 | 52612 |
| Number of reflections | 11716 | 240 | 990 |
| <I/σ(I)> | 25 | 85.8 | 1.5 |
| Completeness [%] | 100.0 | 99.9 | 99.9 |
| Redundancy | 50 | 32.9 | 53.1 |
| CC(1/2) | 1.000 | 1.000 | 0.887 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 20 %w/v PEG 8K, 0.1 M 0.2 M MgCl2 |
