21CF
Crystal structure of sulX in complex with FMN and sulfadimethoxine
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2025-02-26 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 133.963, 133.963, 139.239 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.870 - 2.370 |
| R-factor | 0.2122 |
| Rwork | 0.209 |
| R-free | 0.26647 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.657 |
| 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] | 25.000 | 2.450 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Number of reflections | 30267 | 2917 |
| <I/σ(I)> | 27.54 | 3.5 |
| Completeness [%] | 98.4 | |
| Redundancy | 13.5 | |
| CC(1/2) | 1.000 | 0.944 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 24% PEG 500, 1.2 mM Zinc sulfate, 0.1M MES pH6.5 |
