5N0U
Crystal structure of OphA-DeltaC6 mutant R72A in complex with SAH
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 | 2017-01-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 86.086, 91.881, 164.436 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.920 - 1.680 |
| R-factor | 0.19729 |
| Rwork | 0.196 |
| R-free | 0.21709 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.365 |
| 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] | 49.920 | 1.710 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.083 | 1.713 |
| Number of reflections | 74443 | |
| <I/σ(I)> | 10.8 | 1 |
| Completeness [%] | 99.9 | 97.8 |
| Redundancy | 9 | 8.6 |
| CC(1/2) | 0.996 | 0.515 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.3-0.4 M KSCN, 1.5-1.9 M sodium malonate and 0.1 M bicine pH 9.0 |
