5N0T
Crystal structure of OphA-DeltaC6 mutant Y76F 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 | P 21 21 2 |
| Unit cell lengths | 166.081, 93.541, 86.643 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 83.000 - 1.780 |
| R-factor | 0.21177 |
| Rwork | 0.211 |
| R-free | 0.23229 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n0o |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.429 |
| 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] | 83.000 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.054 | 1.622 |
| Number of reflections | 129666 | |
| <I/σ(I)> | 1.2 | 1.2 |
| Completeness [%] | 100.0 | 98.6 |
| Redundancy | 7.2 | 7.2 |
| CC(1/2) | 0.999 | 0.565 |
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 |
