6R00
OphA DeltaC6 V404F complex with SAH
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) | 0.8000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 85.772, 91.828, 162.999 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.500 - 1.740 |
| R-factor | 0.17523 |
| Rwork | 0.174 |
| R-free | 0.19206 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n0o |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.498 |
| Data reduction software | DIALS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.500 | 1.770 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.034 | 0.973 |
| Number of reflections | 65997 | 3262 |
| <I/σ(I)> | 32.8 | 2.3 |
| Completeness [%] | 100.0 | 99.4 |
| Redundancy | 11.1 | 11.4 |
| CC(1/2) | 1.000 | 0.799 |
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 |
