6QZZ
full length OphA V404E 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 | 2018-04-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 164.002, 91.723, 85.222 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.050 - 1.850 |
| R-factor | 0.20731 |
| Rwork | 0.206 |
| R-free | 0.22462 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n0o |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.393 |
| 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] | 80.100 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.044 | 0.766 |
| Number of reflections | 110277 | 5363 |
| <I/σ(I)> | 16.9 | 2 |
| Completeness [%] | 100.0 | 98.4 |
| Redundancy | 7.2 | 7.3 |
| CC(1/2) | 1.000 | 0.621 |
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, 1.8-2.3 M Sodium malonate |
