6GEW
OphA Y63F-sinefungin complex
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 | 2018-04-14 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 89.784, 89.784, 156.902 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 77.760 - 2.100 |
| R-factor | 0.23602 |
| Rwork | 0.235 |
| R-free | 0.25810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n0o |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.097 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.760 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.073 | 1.017 |
| Number of reflections | 43488 | 2110 |
| <I/σ(I)> | 12.3 | 2.1 |
| Completeness [%] | 100.0 | 98.64 |
| Redundancy | 10.8 | 11 |
| CC(1/2) | 0.999 | 0.556 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.3-0.4 M KSCN, 0.1 M Bicine pH 8-9, 1.7-2.0 M Sodium malonate |
