5N0N
Crystal structure of OphA-DeltaC6 mutant Y63F in complex with SAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9281 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 87.304, 93.664, 165.331 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 82.670 - 1.760 |
| R-factor | 0.18881 |
| Rwork | 0.188 |
| R-free | 0.20022 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n0o |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.278 |
| 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] | 82.670 | 1.790 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.032 | 0.752 |
| Number of reflections | 67412 | |
| <I/σ(I)> | 24 | 2.2 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 5.5 | 5.6 |
| CC(1/2) | 0.999 | 0.791 |
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 |
