9D2S
Crystal structure of E. coli Threonine dehydratase regulatory domain F352A mutant in complex with isoleucine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 106.376, 39.132, 56.631 |
| Unit cell angles | 90.00, 117.02, 90.00 |
Refinement procedure
| Resolution | 47.380 - 1.220 |
| R-factor | 0.1409 |
| Rwork | 0.141 |
| R-free | 0.15100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.070 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.380 | 1.240 |
| High resolution limit [Å] | 1.220 | 1.220 |
| Rmerge | 0.031 | 0.195 |
| Number of reflections | 60600 | 2718 |
| <I/σ(I)> | 28.4 | 7.1 |
| Completeness [%] | 97.9 | 89.5 |
| Redundancy | 6.5 | 5.3 |
| CC(1/2) | 1.000 | 0.984 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | Sodium acetate, ammonium acetate, PEG 4000 |
