5N4I
Crystal structure of OphA-DeltaC6 mutant W400A in complex with SAM
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 | 2017-01-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 85.885, 91.951, 162.181 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.900 - 1.590 |
| R-factor | 0.17411 |
| Rwork | 0.173 |
| R-free | 0.20328 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n0o |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.329 |
| 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] | 75.900 | 1.620 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.045 | 1.545 |
| Number of reflections | 85158 | |
| <I/σ(I)> | 14.9 | 1.2 |
| Completeness [%] | 98.6 | 95.3 |
| Redundancy | 7.3 | 7.2 |
| CC(1/2) | 0.997 | 0.605 |
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 9.0, 1.7-1.9 M sodium malonate |
