8H9A
Crystal structure of chemically modified E. coli ThrS catalytic domain 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-30 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 91.620, 91.620, 121.540 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.870 - 1.900 |
| R-factor | 0.1835 |
| Rwork | 0.181 |
| R-free | 0.23280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fyf |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.940 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.096 | 0.606 |
| Number of reflections | 25514 | 2980 |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 98.1 | |
| Redundancy | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 2.0 M smmonium sulfate, 0.15 M sodium citrate, pH 5.5 |
