23FY
Crystal structure of sulX mutant-S375A in complex with FMN and sulfamethazine
This is a non-PDB format compatible entry.
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 | 2025-06-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 133.602, 133.602, 139.014 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.920 - 2.620 |
| R-factor | 0.18334 |
| Rwork | 0.180 |
| R-free | 0.24022 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.589 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.720 |
| High resolution limit [Å] | 2.620 | 2.630 |
| Number of reflections | 22409 | 2178 |
| <I/σ(I)> | 31.1 | 2.4 |
| Completeness [%] | 99.9 | |
| Redundancy | 31 | |
| CC(1/2) | 0.991 | 0.936 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 24%PEG 500, 1.2 mM ZnSO4, 0.1 M MES pH 6.5 |
