6QZY
full length OphA V406P 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 | 2019-02-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 86.047, 92.447, 162.763 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.390 - 1.610 |
| R-factor | 0.19079 |
| Rwork | 0.190 |
| R-free | 0.20489 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n0o |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.311 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.390 | 1.650 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.048 | 1.078 |
| Number of reflections | 84065 | 6118 |
| <I/σ(I)> | 13.6 | 1.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.1 | 7.2 |
| CC(1/2) | 0.999 | 0.776 |
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 9, 1.8-2.2 M sodium malonate |
