7TXK
Crystal structure of EgtU solute binding domain from Streptococcus pneumoniae D39 in complex with L-ergothioneine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2021-09-23 |
| Detector | RDI CMOS_8M |
| Wavelength(s) | 1.07216 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 117.999, 129.017, 206.906 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.540 - 1.780 |
| R-factor | 0.16 |
| Rwork | 0.159 |
| R-free | 0.18620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4z7e |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.915 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.540 | 1.820 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmeas | 0.087 | 1.062 |
| Rpim | 0.033 | 0.400 |
| Number of reflections | 75117 | 4251 |
| <I/σ(I)> | 13.7 | 1.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7 | 7.1 |
| CC(1/2) | 0.998 | 0.824 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | Sodium citrate tribasic pH 5.6, Potassium Sodium Tartrate 0.2 M and Ammonium Sulphate 1.8 - 2.0 M |
