7R0S
Structure of a cytosolic sulfotransferase of Anopheles gambiae (AGAP001425) in complex with vanillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 193 |
| Detector technology | PIXEL |
| Collection date | 2019-06-30 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.933, 92.135, 102.462 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.940 - 2.100 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.21810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7r0o |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.662 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.940 | 2.175 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.115 | 0.366 |
| Number of reflections | 44293 | 4363 |
| <I/σ(I)> | 9.11 | |
| Completeness [%] | 99.7 | |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 25% w/v PEG 3,350, 0.3 M NaCl and Bis/Tris 0.1 M at pH 6.5 |
