9RTL
X-ray structure of the CTR107-N138A mutant bound to a tetramethylrhodamine ligand
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-22 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.99999 |
| Spacegroup name | P 65 |
| Unit cell lengths | 71.810, 71.810, 146.160 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.350 - 1.800 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.21330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.337 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.041 | 0.397 |
| Number of reflections | 39388 | 5878 |
| <I/σ(I)> | 29.9 | 6 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 10.4 | 10.7 |
| CC(1/2) | 1.000 | 0.970 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M sodium acetate pH 4.5, 0.88 M sodium dihydrogen phosphate and 1.32 M potassium hydrogen phosphate |
