5OUF
Crystal structure of OphA-DeltaC6 mutant W400A in complex with Sinefungin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.7 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 85.540, 91.940, 162.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.550 - 1.700 |
| R-factor | 0.16639 |
| Rwork | 0.165 |
| R-free | 0.19155 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n0o |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.374 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.550 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.064 | 1.730 |
| Number of reflections | 70395 | |
| <I/σ(I)> | 14.1 | 1.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.5 | 7.7 |
| CC(1/2) | 0.999 | 0.470 |
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 8.5, 1.3-1.5 M sodium malonate |
