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 |