6UDC
Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.812, 98.281, 52.647 |
| Unit cell angles | 90.00, 112.26, 90.00 |
Refinement procedure
| Resolution | 49.140 - 2.100 |
| R-factor | 0.1988 |
| Rwork | 0.194 |
| R-free | 0.25610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.919 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.140 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 26913 | 2062 |
| <I/σ(I)> | 8.1 | 1.4 |
| Completeness [%] | 97.1 | 92.6 |
| Redundancy | 1 | |
| CC(1/2) | 0.725 | 0.582 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 500 ul of 0.1 M Bis-Tris, pH 6.5, 25% w/v polyethylene glycol 3350 in the reservoir with 2 ul of reservoir buffer mixed with 2 ul of 10 mg/ml of protein in the drop |
