9KF6
Crystal structure of the reaction intermediate of Streptomyces sp. sulfotransferase Cpz4 involved in caprazamycins synthesis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 181.720, 181.720, 49.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.890 - 2.110 |
| R-factor | 0.2113 |
| Rwork | 0.210 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.536 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.1_5286: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.100 | 2.160 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Number of reflections | 48460 | 3294 |
| <I/σ(I)> | 11.69 | |
| Completeness [%] | 100.0 | |
| Redundancy | 17.3 | |
| CC(1/2) | 0.990 | 0.570 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Sodium thiocyanate, PEG3350, P-nitrophenol-sulfate |
