9O5F
Crystal Structure of EgtUC binding domain double mutant I243P T274G bound to L-Ergothioneine from S. pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-04-04 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1.00002 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 87.851, 87.851, 207.639 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.910 - 1.360 |
| R-factor | 0.1453 |
| Rwork | 0.144 |
| R-free | 0.16730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.054 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.910 | 1.390 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 1.975 | |
| Rmeas | 0.072 | |
| Rpim | 0.020 | 0.632 |
| Number of reflections | 85513 | 4041 |
| <I/σ(I)> | 23.8 | |
| Completeness [%] | 99.1 | 94.9 |
| Redundancy | 12.7 | 9.1 |
| CC(1/2) | 1.000 | 0.425 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Sodium Citrate pH 5.6 1.2 -1.8 M |
