21DW
Crystal structure of sulX in complex with FMN and sulfamethoxazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-10-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 133.039, 133.039, 138.994 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.100 - 2.460 |
| R-factor | 0.19712 |
| Rwork | 0.194 |
| R-free | 0.25603 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.557 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.530 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Number of reflections | 27666 | 1979 |
| <I/σ(I)> | 19.35 | 4.22 |
| Completeness [%] | 99.9 | |
| Redundancy | 35.68 | |
| CC(1/2) | 0.998 | 0.938 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 24% PEG 500, 1.2 mM Zinc sulfate, 0.1 M MES pH6.5 |
