21CV
Crystal structure of sulX in complex with FMN and sulfamethoxypyridazine
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 | 2024-12-23 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 133.916, 133.916, 139.504 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.910 - 2.090 |
| R-factor | 0.18275 |
| Rwork | 0.180 |
| R-free | 0.22645 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.742 |
| 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 | 2.160 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Number of reflections | 43884 | 4351 |
| <I/σ(I)> | 22.13 | 2.17 |
| Completeness [%] | 98.9 | |
| Redundancy | 11.3 | |
| CC(1/2) | 0.996 | 0.930 |
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 pH 6.5 |
