6GA0
Crystal structure of a thermophilic O6-alkylguanine-DNA alkyltransferase-derived self-labeling protein-tag in covalent complex with SNAP-Vista Green
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-30 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.873 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 63.779, 63.779, 159.038 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 79.520 - 2.000 |
| R-factor | 0.17776 |
| Rwork | 0.176 |
| R-free | 0.21899 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zye |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.031 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.520 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.062 | 0.418 |
| Number of reflections | 13435 | 1296 |
| <I/σ(I)> | 27.8 | |
| Completeness [%] | 98.3 | 99.2 |
| Redundancy | 13.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 2.0 M ammonium sulfate |
