6UC3
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 | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 46.209, 93.110, 104.369 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.480 - 1.840 |
| R-factor | 0.1759 |
| Rwork | 0.174 |
| R-free | 0.21270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ry2 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.051 |
| Data reduction software | MOSFLM |
| Data scaling software | pointless (1.10.10) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.480 | 9.030 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Number of reflections | 19561 | 1179 |
| <I/σ(I)> | 16.7 | |
| Completeness [%] | 99.2 | |
| Redundancy | 7.1 | |
| CC(1/2) | 0.998 | 0.951 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 298 | 500 ul of 0.1 M Citric Acid, pH 3.5, 3M NaCl in reservoir with 2 ul of reservoir buffer mixed with 2 ul of 10 mg/ml of protein in the drop. Crystals were soaked to pH 5.5 overnight with 3 exchanges |
