9KGB
Crystal structure of tolypothrichol synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2023-11-23 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.155, 55.770, 57.660 |
| Unit cell angles | 90.00, 90.75, 90.00 |
Refinement procedure
| Resolution | 49.200 - 1.760 |
| R-factor | 0.18139 |
| Rwork | 0.179 |
| R-free | 0.22378 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.385 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.200 | 1.790 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.030 | 0.508 |
| Rmeas | 0.036 | 0.612 |
| Rpim | 0.020 | 0.337 |
| Number of reflections | 30831 | 1763 |
| <I/σ(I)> | 12.8 | 1.8 |
| Completeness [%] | 99.2 | 99.9 |
| Redundancy | 3.3 | |
| CC(1/2) | 0.999 | 0.826 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.5 M Ammonium sulfate 0.1 M Sodium citrate tribasic dihydrate, pH 5.6 1.0 M Lithium sulfate monohydrate |
